ZINC 12

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Active cart: 185 CYP51 spectral HTS hits (248 items)

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This report ranks vendors by which sells the most compounds in your active cart. Click on Download to download all this information in tab delimited format suitable for reading in a spreadsheet program. Click on the vendor name to go to the vendor information page in ZINC. Click on "N available" to focus on this vendor's compounds only. Click on Send Quote Request to compose an email to the vendor. If the supplier code is clickable, it takes you directly to the vendor page for that compound. Click on the ZINC ID to go to the Molecule detail page. Click on the SMILES to perform find analogs of that compounds in ZINC. Hover over the smiles for the molecular structure.

Overview

Purchasable Compounds: 232 are for sale from 1 different vendors
Not Available Compounds: 12 are not for sale

185 CYP51 spectral HTS hits (Public by lpodust) Estimated affinity below 20 nM (tested against recombinant T. cruzi CYP51) Download Show All

Catalogs to Purchase

Available Catalogs

Mcule Make-on-demand — 199 Available Email Quote Request

ZINC ID	Supplier Code	SMILES (Find Similar)	Suppliers	Score
30617	MCULE-4689569431	c1cc(cnc1)CNC(=O)Cc2ccc(cc2)Cl	17	Z
51057	MCULE-5787109572	COc1cc(cc(c1)OC)C(=O)Nc2ccc(cc2)Cc3ccncc3	13	Z
74519	MCULE-8675848632	c1ccc(cc1)c2csc(n2)Nc3cccnc3	12	Z
75390	MCULE-2511221712	Cc1c(c2ccccc2[nH]1)[C@@H](c3cccnc3)Nc4cccc(c4)F	10	Z
75405	MCULE-2511221712	Cc1c(c2ccccc2[nH]1)[C@H](c3cccnc3)Nc4cccc(c4)F	10	Z
79236	MCULE-8127290654	Cc1ccccc1OCC(=O)N2[C@](CC(=N2)C)(c3cccnc3)O	13	Z
88394	MCULE-9388921607	c1cc(cc(c1)O)Nc2nc(cs2)c3ccncc3	4	Z
88477	MCULE-6828064656	CCOC(=O)C1=C(N(C(=C(C1c2ccncc2)C(=O)OCC)C)C)C	14	Z
110441	MCULE-5100543614	CCN(Cc1ccncc1)C(=S)NCCc2ccccc2	11	Z
112120	MCULE-8430220205	C[C@@H](CCc1ccccc1)NC(=S)Nc2cccnc2	9	Z
112127	MCULE-8430220205	C[C@H](CCc1ccccc1)NC(=S)Nc2cccnc2	9	Z
115458	MCULE-1003608819	c1ccc(c(c1)OCc2ccc(o2)C(=O)NCc3cccnc3)Cl	13	Z
121602	MCULE-4405704636	Cc1cc(c(n1c2ccncc2)C)C=C3C(=O)c4ccccc4C3=O	9	Z
168815	MCULE-5843865767	COc1ccc(cc1OC)/C=C/C(=O)Nc2ccncc2	14	Z
179823	MCULE-8409420896	c1cc(ccc1C(=O)[C@@H](n2cncn2)Oc3ccc(cc3)Cl)Cl	4	Z
179824	MCULE-8409420896	c1cc(ccc1C(=O)[C@H](n2cncn2)Oc3ccc(cc3)Cl)Cl	4	Z
190413	MCULE-3928815323 MCULE-2881354756	c1cc(c(cc1Cl)SCCc2ccncc2)Cl	10	Z
197508	MCULE-8440929661	CC(C)(C)c1ccc(cc1)/C=C/C(=O)NCc2cccnc2	15	Z
203291	MCULE-5101464705	Cc1ccc(c(c1)O[P@@](=O)(C)Nc2cccnc2)Cl	8	Z
203295	MCULE-5101464705	Cc1ccc(c(c1)O[P@](=O)(C)Nc2cccnc2)Cl	8	Z
203980	MCULE-9534040922	c1cc(c2cnccc2c1Br)Br	34	Z
208790	MCULE-3078201036	COc1ccccc1C(=O)O/N=C(\c2ccccc2)/c3ccncc3	6	Z
220723	MCULE-3148364533	c1ccc2c(c1)c(cc(n2)c3ccncc3)C(=O)N4CCCCC4	7	Z
227224	MCULE-8344943897	c1ccc(c(c1)/C=C(\C#N)/C(=O)NCc2cccnc2)Cl	10	Z
227350	MCULE-4662313497	Cc1ccc(c(c1)Cl)OCCn2ccnc2	6	Z
265194	MCULE-1111522716	COc1ccc(cc1)C(=O)[C@@H](c2ccccc2)OC(=O)c3ccncc3	10	Z
265195	MCULE-1111522716	COc1ccc(cc1)C(=O)[C@H](c2ccccc2)OC(=O)c3ccncc3	10	Z
303012	MCULE-6419662532	COc1ccc(cc1)NC(=O)Nc2ccc(cc2)Cc3ccncc3	8	Z
322678	MCULE-7470517740	c1cc(cc(c1)Cl)C(=O)Nc2cc(cc(c2)Oc3cccnc3)N	8	Z
327333	MCULE-4986438854	c1ccc(cc1)CCC(=O)Nc2ccncc2	14	Z
342908	MCULE-4732799231	c1ccc2cc(ccc2c1)C(=O)Nc3ccncc3	10	Z
352987	MCULE-9165380016	c1ccc2c(c1)ccc3c2c(co3)CC(=O)NCc4cccnc4	13	Z
367876	MCULE-4562715389	CCC(C)(C)c1ccc(cc1)OCC(=O)Nc2ccncc2	10	Z
376363	MCULE-5641897136	C[C@@H](CCc1ccccc1)NC(=O)c2ccncc2	12	Z
382662	MCULE-1159167977	COc1ccccc1Cc2nc(no2)c3ccncc3	10	Z
382668	MCULE-3085110392	c1cc(c(c(c1)Cl)CSCC(=O)NCc2cccnc2)Cl	11	Z
395295	MCULE-9589168137	c1cc(cnc1)CNC(=O)Nc2ccc(cc2)Cl	23	Z
434034	MCULE-8377176644	CC[C@@H](C(=O)Nc1ccncc1)Oc2ccccc2	11	Z
434035	MCULE-8377176644	CC[C@H](C(=O)Nc1ccncc1)Oc2ccccc2	11	Z
441866	MCULE-6266146585	c1cc(ccc1Cc2nc(no2)c3ccncc3)Cl	10	Z
461748	MCULE-4521857865	c1cnccc1NC(=O)CCC2CCCC2	13	Z
480185	MCULE-1788280412	c1cc(cc(c1)NC(=O)OCc2ccncc2)C(F)(F)F	5	Z
484119	MCULE-9805230847	c1ccc(cc1)[C@@H](C(=O)NCc2ccncc2)Sc3ccccc3	11	Z
484121	MCULE-9805230847	c1ccc(cc1)[C@H](C(=O)NCc2ccncc2)Sc3ccccc3	11	Z
519945	MCULE-3920398215	c1cc(cnc1)CN2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]3C2=O)C=C4	9	Z
611571	MCULE-6706273329	COc1ccccc1C(=O)n2c(nc(n2)c3cccnc3)N	10	Z
613276	MCULE-8763334404	Cc1cccc(n1)Nc2nc(cs2)c3ccncc3	9	Z
614403	MCULE-3266412695	c1ccc(cc1)Nc2ccc3c(c2)OC(=C([C@H]3c4ccncc4)C#N)N	4	Z
614405	MCULE-3266412695	c1ccc(cc1)Nc2ccc3c(c2)OC(=C([C@@H]3c4ccncc4)C#N)N	4	Z
617766	MCULE-1335711960	c1cc(c(cc1NC(=O)NCCc2ccncc2)Cl)Cl	8	Z
631179	MCULE-5857973972	c1cc(cc(c1)Cl)S(=O)(=O)Nc2ccc(cc2)C(=O)Nc3ccncc3	6	Z
644733	MCULE-3888661624	c1cc(cnc1)[C@@H]([C@@H](C(Cl)(Cl)Cl)O)C(=O)c2ccc(cc2Cl)Cl	5	Z
644735	MCULE-3888661624	c1cc(cnc1)[C@H]([C@@H](C(Cl)(Cl)Cl)O)C(=O)c2ccc(cc2Cl)Cl	5	Z
644736	MCULE-3888661624	c1cc(cnc1)[C@@H]([C@H](C(Cl)(Cl)Cl)O)C(=O)c2ccc(cc2Cl)Cl	5	Z
644737	MCULE-3888661624	c1cc(cnc1)[C@H]([C@H](C(Cl)(Cl)Cl)O)C(=O)c2ccc(cc2Cl)Cl	5	Z
645510	MCULE-3751336961	CC1=C([C@H](n2c(nc(n2)c3ccccc3)N1)c4ccncc4)C(=O)Nc5ccc(cc5)OC	5	Z
645511	MCULE-3751336961	CC1=C([C@@H](n2c(nc(n2)c3ccccc3)N1)c4ccncc4)C(=O)Nc5ccc(cc5)OC	5	Z
645568	MCULE-7345307028	CC1=C([C@H](n2c(nc(n2)c3cccs3)N1)c4cccc(c4)OC)C(=O)Nc5cccnc5	5	Z
645569	MCULE-7345307028	CC1=C([C@@H](n2c(nc(n2)c3cccs3)N1)c4cccc(c4)OC)C(=O)Nc5cccnc5	5	Z
645593	MCULE-4395812838	c1cc(sc1)S(=O)(=O)N(c2ccc3c(c2)c4c(o3)CCCC4)C(=O)c5ccncc5	11	Z
646555	MCULE-3096188273	c1cc(sc1)c2cc(nc(n2)SCC(=O)NCc3ccncc3)C(F)(F)F	12	Z
646612	MCULE-9975946530	c1cc(ccc1c2cc(nc(n2)SCC(=O)NCc3ccncc3)C(F)(F)F)F	13	Z
655042	MCULE-3202718319	Cc1ccc(cc1)S(=O)(=O)N(CC(=O)Nc2cccnc2)c3cccc(c3)C(F)(F)F	8	Z
656746	MCULE-5954152656	Cc1ccc(cc1)S(=O)(=O)N(CC(=O)NCc2cccnc2)c3cccc(c3)Br	7	Z
692634	MCULE-3688505700	CC(C)(C)NC(=O)c1cccc(c1)NC(=O)c2ccc3c(c2)C(=O)N(C3=O)Cc4cccnc4	10	Z
702516	MCULE-7233167051	c1cc(cnc1)c2nc(cs2)c3ccc(cc3)S(=O)(=O)N4CCCC4	10	Z
703158	MCULE-3549541164	C[C@H]1Cc2cc(ccc2O1)C(=O)C3=C(C(=O)N([C@H]3c4cccs4)Cc5cccnc5)[O-]	10	Z
703159	MCULE-3549541164	C[C@@H]1Cc2cc(ccc2O1)C(=O)C3=C(C(=O)N([C@H]3c4cccs4)Cc5cccnc5)[O-]	10	Z
703161	MCULE-3549541164	C[C@@H]1Cc2cc(ccc2O1)C(=O)C3=C(C(=O)N([C@@H]3c4cccs4)Cc5cccnc5)[O-]	10	Z
720583	MCULE-1963137765	c1cc(cnc1)CNC(=O)c2cc3nc(cc(n3n2)C(F)(F)Cl)c4ccco4	9	Z
752132	MCULE-3601261481	CC1(CC2=C([C@H](Nc3c2c4ccccc4cc3)c5cccnc5)C(=O)C1)C	9	Z
752133	MCULE-3601261481	CC1(CC2=C([C@@H](Nc3c2c4ccccc4cc3)c5cccnc5)C(=O)C1)C	10	Z
757130	MCULE-7828179061	C[NH+](CCc1ccccc1)Cc2cccnc2	4	Z
758836	MCULE-9991667145	Cc1ccc(c(c1)C[NH+]2CCCC[C@H]2c3cccnc3)C	6	Z
758838	MCULE-9991667145	Cc1ccc(c(c1)C[NH+]2CCCC[C@@H]2c3cccnc3)C	6	Z
804100	MCULE-8488661859	Cc1coc(n1)NC(=O)c2c(c3c(cc(nc3s2)c4ccncc4)C(F)(F)F)N	11	Z
804816	MCULE-3055554726	c1ccc(cc1)CN(CC(=O)NCc2ccncc2)S(=O)(=O)c3ccccc3	10	Z
811601	MCULE-5836615088	Cc1ccc(cc1)C[C@@H]2CC(=O)N(C2=O)c3ccncc3	9	Z
879613	MCULE-7576224478	Cc1c(c(no1)c2ccccc2Cl)C(=O)O/N=C(\C)/c3ccncc3	13	Z
991957	MCULE-5598447799	c1cc(ccc1Cc2ccncc2)NS(=O)(=O)c3ccc(cc3)Br	10	Z
1010695	MCULE-8978549907	c1cc(cnc1)CN2C(=O)c3ccc(cc3C2=O)C(=O)Nc4ccc(cc4)F	10	Z
1014196	MCULE-4816964942	Cc1c(c2ccccc2[nH]1)[C@@H](c3ccncc3)Nc4ccc(cc4)F	8	Z
1014197	MCULE-4816964942	Cc1c(c2ccccc2[nH]1)[C@H](c3ccncc3)Nc4ccc(cc4)F	8	Z
1082070	MCULE-9555561537	CCOC(=O)C1=C(NC2=C([C@H]1c3cccnc3)C(=O)C[C@H](C2)c4ccccc4)C	11	Z
1082071	MCULE-9555561537	CCOC(=O)C1=C(NC2=C([C@@H]1c3cccnc3)C(=O)C[C@H](C2)c4ccccc4)C	11	Z
1082072	MCULE-9555561537	CCOC(=O)C1=C(NC2=C([C@H]1c3cccnc3)C(=O)C[C@@H](C2)c4ccccc4)C	11	Z
1082073	MCULE-9555561537	CCOC(=O)C1=C(NC2=C([C@@H]1c3cccnc3)C(=O)C[C@@H](C2)c4ccccc4)C	11	Z
1111673	MCULE-5682926891	CC1=C([C@H](n2c(nc(n2)SCc3ccccc3)N1)c4cccc(c4)O)C(=O)Nc5cccnc5	7	Z
1111674	MCULE-5682926891	CC1=C([C@@H](n2c(nc(n2)SCc3ccccc3)N1)c4cccc(c4)O)C(=O)Nc5cccnc5	7	Z
1244973	MCULE-7926660875	C=CCn1c2ccccc2c(=O)c(c1[O-])C(=O)NCc3ccncc3	11	Z
1266780	MCULE-1380070992	Cc1cc2c(c(=O)o1)[C@H](C(=C(O2)N)C(=O)OC)c3cccnc3	6	Z
1266781	MCULE-1380070992	Cc1cc2c(c(=O)o1)[C@@H](C(=C(O2)N)C(=O)OC)c3cccnc3	6	Z
1304704	MCULE-3717389149	CC(C)(C)Nc1c(nc2n1cc(cc2)Br)c3ccncc3	14	Z
1430751	MCULE-9882975456	c1cc(cnc1)[C@H]2c3c(nc(nc3OC(=C2C#N)N)SCc4ccc(cc4)Cl)N	9	Z
1430752	MCULE-9882975456	c1cc(cnc1)[C@@H]2c3c(nc(nc3OC(=C2C#N)N)SCc4ccc(cc4)Cl)N	9	Z
1804200	MCULE-1445099475	c1ccc(c(c1)OP(=O)(Nc2cccnc2)Oc3ccccc3Cl)Cl	8	Z
1895750	MCULE-4968852079	COc1cc(nc(n1)OC)NS(=O)(=O)c2ccc(cc2)Nc3nc(cs3)c4cccnc4	5	Z
2080197	MCULE-3214647409	Cc1cc(ccc1OCCCC(=O)NCc2cccnc2)Cl	14	Z
2080198	MCULE-1825996310	Cc1cc(ccc1OCCCC(=O)NCc2ccncc2)Cl	12	Z
2080204	MCULE-8786965380	Cc1cc(ccc1OCCCC(=O)Nc2cccnc2)Cl	13	Z
2203777	MCULE-9272578124	c1ccc(cc1)OCc2nc(c(o2)NCCCn3cc[nH+]c3)C#N	8	Z
2332322	MCULE-1111754328	Cc1cc2c(c(=O)n1CCCn3cc[nH+]c3)[C@H](C(=C(O2)N)C(=O)OC)c4ccc(cc4)Cl	11	Z
2332324	MCULE-1111754328	Cc1cc2c(c(=O)n1CCCn3ccnc3)[C@@H](C(=C(O2)N)C(=O)OC)c4ccc(cc4)Cl	11	Z
2374304	MCULE-9530735947	c1ccc2c(c1)c(nn(c2=O)CC(=O)NCc3cccnc3)c4ccc(cc4)Cl	10	Z
2704780	MCULE-6335911961	CC(C)c1nnc(s1)N2[C@H](c3c(=O)c4ccccc4oc3C2=O)c5cccnc5	9	Z
2704782	MCULE-6335911961	CC(C)c1nnc(s1)N2[C@@H](c3c(=O)c4ccccc4oc3C2=O)c5cccnc5	9	Z
2748319	MCULE-8086685782	c1ccc(cc1)CN(Cc2ccccc2)C(=O)c3ccncc3	13	Z
2774194	MCULE-5641897136	C[C@H](CCc1ccccc1)NC(=O)c2ccncc2	12	Z
2790470	MCULE-6133735783	c1ccc(c(c1)C(=O)NCCCn2cc[nH+]c2)Br	17	Z
2875216	MCULE-6109122398	c1cc(cnc1)NC(=O)CCc2nc(no2)c3ccc(cc3)Cl	9	Z
2966695	MCULE-7977446913	Cc1ccccc1CSCc2ccc(o2)C(=O)NCc3cccnc3	6	Z
3106044	MCULE-8380400719	c1cc(ccc1OCCCn2ccnc2)Br	8	Z
3127350	MCULE-3380895811	Cc1ccc(cc1)S(=O)(=O)NCCCOC(=O)Nc2ccncc2	4	Z
3627240	MCULE-2969202126	Cc1cc(ccc1OCCNC(=O)c2cccnc2)Cl	13	Z
3905225	MCULE-7088865073	c1cc(ccc1S(=O)(=O)O/N=C(/c2ccncc2)\N)Cl	8	Z
3906359	MCULE-4944000136	c1ccc2c(c1)c3c(cc(s3)C(=O)NCc4cccnc4)c(=O)o2	4	Z
3908526	MCULE-6792442112	c1ccc(c(c1)c2cc(no2)C(=O)NCc3cccnc3)O	5	Z
4014086	MCULE-3866599791	c1cc(cc(c1)Br)C2=NO[C@@H](C2)C(=O)NCCCn3ccnc3	10	Z
4014090	MCULE-3866599791	c1cc(cc(c1)Br)C2=NO[C@H](C2)C(=O)NCCCn3cc[nH+]c3	10	Z
4057998	MCULE-3920398215	c1cc(cnc1)CN2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4	9	Z
4117273	MCULE-8127290654	Cc1ccccc1OCC(=O)N2[C@@](CC(=N2)C)(c3cccnc3)O	13	Z
4144503	MCULE-9653840215	c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCCCC(=O)NCc4cccnc4	15	Z
4385845	MCULE-1771070592	C[C@@H](c1ccc(cc1)n2ccnc2)NS(=O)(=O)c3ccc(c4c3cccc4)OC	11	Z
4385846	MCULE-1771070592	C[C@H](c1ccc(cc1)n2ccnc2)NS(=O)(=O)c3ccc(c4c3cccc4)OC	11	Z
4391373	MCULE-1918923739	CC1=C([C@H](C(=C(N1)SCC(=O)Nc2ccc(cc2)F)C#N)c3cccnc3)C(=O)Nc4ccccc4	6	Z
4624066	MCULE-2812377499	CCc1c(c(c(c(n1)SCc2cccnc2)C#N)C(F)(F)F)C	10	Z
4626577	MCULE-2122507959	COc1ccc(cc1)c2c3c([nH]n2)C(=O)N[C@@H]3c4cccnc4	10	Z
4626578	MCULE-2122507959	COc1ccc(cc1)c2c3c([nH]n2)C(=O)N[C@H]3c4cccnc4	10	Z
4629065	MCULE-4430404618	COc1cccc(c1)c2nc(on2)C(=O)NCCCn3ccnc3	10	Z
4708287	MCULE-2598574329	CCC1=C([C@@H](C(=C(O1)N)C(=O)OC)c2cccnc2)C#N	9	Z
4708288	MCULE-2598574329	CCC1=C([C@H](C(=C(O1)N)C(=O)OC)c2cccnc2)C#N	9	Z
4708305	MCULE-2634794516	c1cc(oc1C(=O)NCCc2ccncc2)Br	12	Z
4733453	MCULE-4709194493	CN1[C@@H]([C@@H](c2cc(c(cc2C1=O)OC)OC)C(=O)N3CCC(CC3)Cc4ccccc4)c5cccnc5	4	Z
4733457	MCULE-4709194493	CN1[C@H]([C@@H](c2cc(c(cc2C1=O)OC)OC)C(=O)N3CCC(CC3)Cc4ccccc4)c5cccnc5	4	Z
4733459	MCULE-4709194493	CN1[C@@H]([C@H](c2cc(c(cc2C1=O)OC)OC)C(=O)N3CCC(CC3)Cc4ccccc4)c5cccnc5	4	Z
4733460	MCULE-4709194493	CN1[C@H]([C@H](c2cc(c(cc2C1=O)OC)OC)C(=O)N3CCC(CC3)Cc4ccccc4)c5cccnc5	4	Z
4734330	MCULE-5125895299	COc1ccc(cc1OC)c2cc(nc(n2)NCc3cccnc3)C(F)(F)F	5	Z
4762462	MCULE-3937834653	CC(C)/C=C/1\CC/C(=C\c2ccncc2)/C1=O	4	Z
4902726	MCULE-3400167770	Cc1ccc2c(c1)sc(n2)NC(=O)C3CCN(CC3)S(=O)(=O)c4cccnc4	7	Z
4909728	MCULE-7532939394	CCOC(=O)c1cc(n(c1C)CCC(=O)NCc2cccnc2)c3ccc(cc3)C	5	Z
4911342	MCULE-6241436694	c1cc(cnc1)CNC(=O)c2csc3c2CCCC3	11	Z
4912565	MCULE-8397360038	c1cc(cnc1)Cn2cnc3c(c2=O)cnn3c4ccc(cc4)Cl	4	Z
4924616	MCULE-4681236520	Cc1c(nc(o1)c2ccc(cc2)OC)CSCC(=O)NCc3cccnc3	6	Z
5151836	MCULE-2257362385	c1cc(cnc1)c2nc(cs2)CNS(=O)(=O)c3ccc(cc3)Br	6	Z
5687372	MCULE-5271348083	c1cc(cnc1)CSc2[nH]c3cc(ccc3n2)F	4	Z
6013476	MCULE-5601532105	c1ccc(cc1)S(=O)(=O)N(CC(=O)NCc2ccncc2)c3ccc(cc3Cl)Cl	9	Z
6144539	MCULE-5177806881	CC1=C([C@@H](n2c(nc(n2)CCCO)N1)c3ccc(cc3)Cl)C(=O)Nc4cccnc4	5	Z
6144540	MCULE-5177806881	CC1=C([C@H](n2c(nc(n2)CCCO)N1)c3ccc(cc3)Cl)C(=O)Nc4cccnc4	5	Z
6161580	MCULE-1381445926	c1ccc(cc1)Oc2cccc(c2)/C=C(\C(=O)NCc3cccnc3)/S(=O)(=O)c4ccccc4	7	Z
6445314	MCULE-5503441892	c1cc(oc1)c2cc(nc(n2)SCCCC(=O)NCc3ccncc3)C(F)(F)F	9	Z
6721148	MCULE-1854351531	CCOc1cc(ccc1Cl)S(=O)(=O)Nc2cccnc2	9	Z
6732399	MCULE-6595986964	c1cc(cnc1)c2nc3n(n2)[C@@H](C4=C(N3)CCCC4=O)c5ccc(cc5)Cl	5	Z
6732400	MCULE-6595986964	c1cc(cnc1)c2nc3n(n2)[C@H](C4=C(N3)CCCC4=O)c5ccc(cc5)Cl	5	Z
6732469	MCULE-8052646553	COc1ccc(cc1)c2nc3n(n2)[C@@H](C4=C(N3)CCCC4=O)c5cccnc5	6	Z
6732470	MCULE-8052646553	COc1ccc(cc1)c2nc3n(n2)[C@H](C4=C(N3)CCCC4=O)c5cccnc5	6	Z
6736834	MCULE-4946342479	COc1ccc(cc1)c2cc([nH]n2)C(=O)NCc3cccnc3	6	Z
6747806	MCULE-2627209696	CN1[C@@H](c2c(n[nH]c2C1=O)c3ccc(cc3)F)c4cccnc4	8	Z
6747807	MCULE-2627209696	CN1[C@H](c2c(n[nH]c2C1=O)c3ccc(cc3)F)c4cccnc4	8	Z
6749527	MCULE-9717372731	CCc1cc2c(s1)cc3n2cnn(c3=O)CC(=O)NCc4cccnc4	4	Z
6780638	MCULE-6198993465	Cc1ccc(cc1)Sc2c3ccccc3[nH]c2C(=O)NCc4cccnc4	5	Z
6805467	MCULE-6635549732	COc1ccc(cc1)CNc2nc3ccccc3c4n2nc(n4)c5ccncc5	4	Z
6810755	MCULE-9982651883	Cn1c(nnc1SCc2nc(no2)c3ccc(cc3)Cl)c4ccncc4	4	Z
6919911	MCULE-3519547698	CCCCNC(=O)c1cc(nc2c1cccc2)c3ccncc3	10	Z
8383491	MCULE-3549541164	C[C@H]1Cc2cc(ccc2O1)C(=O)C3=C(C(=O)N([C@@H]3c4cccs4)Cc5cccnc5)[O-]	10	Z
8415433	MCULE-2758747717	CC1=C([C@@H](C2=C(N1)CC(CC2=O)(C)C)c3cccnc3)C(=O)Nc4ccc(cc4F)F	6	Z
8415436	MCULE-2758747717	CC1=C([C@H](C2=C(N1)CC(CC2=O)(C)C)c3cccnc3)C(=O)Nc4ccc(cc4F)F	6	Z
8845448	MCULE-8800897504	CCOc1cc(ccc1OCC=C)[C@@H]2c3c(n[nH]c3C(=O)N2Cc4ccncc4)c5ccccc5O	11	Z
8845449	MCULE-8800897504	CCOc1cc(ccc1OCC=C)[C@H]2c3c(n[nH]c3C(=O)N2Cc4ccncc4)c5ccccc5O	11	Z
8845462	MCULE-2904609274	CCCCOc1ccc(cc1OC)[C@@H]2c3c(n[nH]c3C(=O)N2Cc4cccnc4)c5ccccc5O	11	Z
8845463	MCULE-2904609274	CCCCOc1ccc(cc1OC)[C@H]2c3c(n[nH]c3C(=O)N2Cc4cccnc4)c5ccccc5O	11	Z
8996974	MCULE-7906175183	Cc1c(sc2c1c(=O)nc([nH]2)SCC(=O)NCCCn3cc[nH+]c3)C	12	Z
9144920	MCULE-1918923739	CC1=C([C@@H](C(=C(N1)SCC(=O)Nc2ccc(cc2)F)C#N)c3cccnc3)C(=O)Nc4ccccc4	6	Z
9195214	MCULE-1988648690	COc1ccc(cc1)CNc2nc(nn2S(=O)(=O)c3ccccc3)c4cccnc4	8	Z
9432012	MCULE-2701533522	CC(C)Cn1c(nnc1SCc2nc(no2)c3ccc(c(c3)OC)OC)c4ccncc4	4	Z
9601971	MCULE-6586499046	Cc1cccc(c1)c2nc3n(n2)[C@@H](C(=C(N3)C)C(=O)Nc4cccnc4)c5cccc(c5OC)OC	6	Z
9601972	MCULE-6586499046	Cc1cccc(c1)c2nc3n(n2)[C@H](C(=C(N3)C)C(=O)Nc4cccnc4)c5cccc(c5OC)OC	6	Z
9601977	MCULE-5287639366	CC1=C([C@@H](n2c(nc(n2)c3ccc(cc3)OC)N1)c4cccs4)C(=O)Nc5cccnc5	5	Z
9601978	MCULE-5287639366	CC1=C([C@H](n2c(nc(n2)c3ccc(cc3)OC)N1)c4cccs4)C(=O)Nc5cccnc5	5	Z
9609187	MCULE-4838541113	Cc1c(c(n2c(n1)cc(n2)c3cc(cc(c3)OC)OC)C)CCC(=O)Nc4cccnc4	6	Z
9609199	MCULE-3119325245	Cc1c(c(n2c(n1)cc(n2)c3cc(cc(c3)OC)OC)C)CCC(=O)NCc4cccnc4	6	Z
9730892	MCULE-5590451556 MCULE-1170781407	CCOC(=O)c1c(n(c2c1cc(cc2)OC[C@@H](Cn3ccnc3)O)c4ccc(cc4)C)C	9	Z
9730893	MCULE-1170781407 MCULE-5590451556	CCOC(=O)c1c(n(c2c1cc(cc2)OC[C@H](Cn3ccnc3)O)c4ccc(cc4)C)C	9	Z
9781416	MCULE-6536428597	Cn1c2c(c(=O)n(c1=O)C)n(c(n2)NCc3cccnc3)Cc4cccc5c4cccc5	5	Z
12360678	MCULE-2688632443	c1cnccc1c2nnn(n2)CCOCCn3nc(nn3)c4ccncc4	9	Z
13125285	MCULE-4202094267	CCOC(=O)C1=C(Nc2nnnn2[C@@H]1c3cccnc3)C	9	Z
13125286	MCULE-4202094267	CCOC(=O)C1=C(Nc2nnnn2[C@H]1c3cccnc3)C	9	Z
13496891	MCULE-9862386302	CCCCNC(=S)N1CCn2cccc2[C@@H]1c3cccnc3	5	Z
13496892	MCULE-9862386302	CCCCNC(=S)N1CCn2cccc2[C@H]1c3cccnc3	5	Z
13520077	MCULE-6816650259	CC(C)N(Cc1ccccc1)C(=S)Nc2cccnc2	11	Z
13878959	MCULE-8098770031	c1cc(ccc1CC(=O)O/N=C(/c2cc[nH+]cc2)\N)Cl	11	Z
15938256	MCULE-9603828452	CCC[C@@H](/C(=N/O)/c1ccccc1)n2cncn2	5	Z
17282141	MCULE-9603828452	CCC[C@H](/C(=N/O)/c1ccccc1)n2cncn2	5	Z
19731794	MCULE-2151477046	CC1=C([C@H](C2=C(N1)CC(CC2=O)(C)C)c3ccncc3)C(=O)OC4CCCC4	10	Z
19731796	MCULE-2151477046	CC1=C([C@@H](C2=C(N1)CC(CC2=O)(C)C)c3ccncc3)C(=O)OC4CCCC4	10	Z
20446904	MCULE-5578507177	c1cc(ccc1/C=C(/C(=O)c2ccc(cc2Cl)Cl)\n3cncn3)F	4	Z
20661987	MCULE-3517263157	Cc1ccc(cc1n2c3c(cn2)c(ncn3)NCc4cccnc4)Cl	9	Z
22134213	MCULE-1693747011	Cc1cc(c2c(n1)N([C@H](NC2=O)c3cccnc3)Cc4ccccc4)COC	3	Z
22134215	MCULE-1693747011	Cc1cc(c2c(n1)N([C@@H](NC2=O)c3cccnc3)Cc4ccccc4)COC	3	Z
38154189	MCULE-7391545866	COC(=O)c1c(ccs1)NC(=O)CSCCc2ccncc2	6	Z

Non-Unique/Empty Catalogs

Ignored Catalogs

Compound Availability

Purchasable:

The following compounds are included in the above report:

#	ZINC ID	SMILES (Find Similar)	Score
1	30617 30617	Select Similar	Z
2	51057 51057	Select Similar	Z
3	74519 74519	Select Similar	Z
4	75390 75390	Select Similar	Z
5	75405 75405	Select Similar	Z
6	79236 79236	Select Similar	Z
7	88394 88394	Select Similar	Z
8	88477 88477	Select Similar	Z
9	110441 110441	Select Similar	Z
10	112120 112120	Select Similar	Z
11	112127 112127	Select Similar	Z
12	115458 115458	Select Similar	Z
13	121602 121602	Select Similar	Z
14	168815 168815	Select Similar	Z
15	179823 179823	Select Similar	Z
16	179824 179824	Select Similar	Z
17	190413 190413	Select Similar	Z
18	197177 197177	Select Similar	Z
19	197508 197508	Select Similar	Z
20	198316 198316	Select Similar	Z
21	203291 203291	Select Similar	Z
22	203295 203295	Select Similar	Z
23	203980 203980	Select Similar	Z
24	208790 208790	Select Similar	Z
25	220723 220723	Select Similar	Z
26	227224 227224	Select Similar	Z
27	227350 227350	Select Similar	Z
28	265194 265194	Select Similar	Z
29	265195 265195	Select Similar	Z
30	303012 303012	Select Similar	Z
31	322678 322678	Select Similar	Z
32	327333 327333	Select Similar	Z
33	342908 342908	Select Similar	Z
34	352987 352987	Select Similar	Z
35	367876 367876	Select Similar	Z
36	376363 376363	Select Similar	Z
37	378004 378004	Select Similar	Z
38	378007 378007	Select Similar	Z
39	382662 382662	Select Similar	Z
40	382668 382668	Select Similar	Z
41	395295 395295	Select Similar	Z
42	429100 429100	Select Similar	Z
43	429799 429799	Select Similar	Z
44	434034 434034	Select Similar	Z
45	434035 434035	Select Similar	Z
46	441866 441866	Select Similar	Z
47	461748 461748	Select Similar	Z
48	480185 480185	Select Similar	Z
49	484119 484119	Select Similar	Z
50	484121 484121	Select Similar	Z
51	519945 519945	Select Similar	Z
52	611571 611571	Select Similar	Z
53	613276 613276	Select Similar	Z
54	614403 614403	Select Similar	Z
55	614405 614405	Select Similar	Z
56	617766 617766	Select Similar	Z
57	631179 631179	Select Similar	Z
58	644733 644733	Select Similar	Z
59	644735 644735	Select Similar	Z
60	644736 644736	Select Similar	Z
61	644737 644737	Select Similar	Z
62	645510 645510	Select Similar	Z
63	645511 645511	Select Similar	Z
64	645568 645568	Select Similar	Z
65	645569 645569	Select Similar	Z
66	645593 645593	Select Similar	Z
67	646555 646555	Select Similar	Z
68	646612 646612	Select Similar	Z
69	655042 655042	Select Similar	Z
70	656746 656746	Select Similar	Z
71	692634 692634	Select Similar	Z
72	702516 702516	Select Similar	Z
73	703158 703158	Select Similar	Z
74	703159 703159	Select Similar	Z
75	703161 703161	Select Similar	Z
76	720583 720583	Select Similar	Z
77	752132 752132	Select Similar	Z
78	752133 752133	Select Similar	Z
79	757130 757130	Select Similar	Z
80	758836 758836	Select Similar	Z
81	758838 758838	Select Similar	Z
82	804100 804100	Select Similar	Z
83	804816 804816	Select Similar	Z
84	811601 811601	Select Similar	Z
85	879613 879613	Select Similar	Z
86	971926 971926	Select Similar	Z
87	991957 991957	Select Similar	Z
88	1010695 1010695	Select Similar	Z
89	1014196 1014196	Select Similar	Z
90	1014197 1014197	Select Similar	Z
91	1082070 1082070	Select Similar	Z
92	1082071 1082071	Select Similar	Z
93	1082072 1082072	Select Similar	Z
94	1082073 1082073	Select Similar	Z
95	1111673 1111673	Select Similar	Z
96	1111674 1111674	Select Similar	Z
97	1244973 1244973	Select Similar	Z
98	1266780 1266780	Select Similar	Z
99	1266781 1266781	Select Similar	Z
100	1304704 1304704	Select Similar	Z
101	1430751 1430751	Select Similar	Z
102	1430752 1430752	Select Similar	Z
103	1804200 1804200	Select Similar	Z
104	1895750 1895750	Select Similar	Z
105	2080197 2080197	Select Similar	Z
106	2080198 2080198	Select Similar	Z
107	2080204 2080204	Select Similar	Z
108	2203777 2203777	Select Similar	Z
109	2332322 2332322	Select Similar	Z
110	2332324 2332324	Select Similar	Z
111	2374304 2374304	Select Similar	Z
112	2494147 2494147	Select Similar	Z
113	2704780 2704780	Select Similar	Z
114	2704782 2704782	Select Similar	Z
115	2748319 2748319	Select Similar	Z
116	2774194 2774194	Select Similar	Z
117	2790470 2790470	Select Similar	Z
118	2875216 2875216	Select Similar	Z
119	2966695 2966695	Select Similar	Z
120	3037710 3037710	Select Similar	Z
121	3037712 3037712	Select Similar	Z
122	3106044 3106044	Select Similar	Z
123	3127350 3127350	Select Similar	Z
124	3627240 3627240	Select Similar	Z
125	3905225 3905225	Select Similar	Z
126	3906359 3906359	Select Similar	Z
127	3908526 3908526	Select Similar	Z
128	4014086 4014086	Select Similar	Z
129	4014090 4014090	Select Similar	Z
130	4057998 4057998	Select Similar	Z
131	4117273 4117273	Select Similar	Z
132	4144503 4144503	Select Similar	Z
133	4168182 4168182	Select Similar	Z
134	4168183 4168183	Select Similar	Z
135	4385845 4385845	Select Similar	Z
136	4385846 4385846	Select Similar	Z
137	4391373 4391373	Select Similar	Z
138	4450519 4450519	Select Similar	Z
139	4624066 4624066	Select Similar	Z
140	4626577 4626577	Select Similar	Z
141	4626578 4626578	Select Similar	Z
142	4629065 4629065	Select Similar	Z
143	4646376 4646376	Select Similar	Z
144	4646377 4646377	Select Similar	Z
145	4708287 4708287	Select Similar	Z
146	4708288 4708288	Select Similar	Z
147	4708305 4708305	Select Similar	Z
148	4733453 4733453	Select Similar	Z
149	4733457 4733457	Select Similar	Z
150	4733459 4733459	Select Similar	Z
151	4733460 4733460	Select Similar	Z
152	4734330 4734330	Select Similar	Z
153	4762462 4762462	Select Similar	Z
154	4902726 4902726	Select Similar	Z
155	4909728 4909728	Select Similar	Z
156	4911342 4911342	Select Similar	Z
157	4912565 4912565	Select Similar	Z
158	4924616 4924616	Select Similar	Z
159	5151836 5151836	Select Similar	Z
160	5687372 5687372	Select Similar	Z
161	6013476 6013476	Select Similar	Z
162	6144539 6144539	Select Similar	Z
163	6144540 6144540	Select Similar	Z
164	6161580 6161580	Select Similar	Z
165	6445314 6445314	Select Similar	Z
166	6721148 6721148	Select Similar	Z
167	6732399 6732399	Select Similar	Z
168	6732400 6732400	Select Similar	Z
169	6732469 6732469	Select Similar	Z
170	6732470 6732470	Select Similar	Z
171	6736834 6736834	Select Similar	Z
172	6747806 6747806	Select Similar	Z
173	6747807 6747807	Select Similar	Z
174	6749527 6749527	Select Similar	Z
175	6780638 6780638	Select Similar	Z
176	6781926 6781926	Select Similar	Z
177	6781927 6781927	Select Similar	Z
178	6803047 6803047	Select Similar	Z
179	6803480 6803480	Select Similar	Z
180	6805467 6805467	Select Similar	Z
181	6810755 6810755	Select Similar	Z
182	6919911 6919911	Select Similar	Z
183	8383491 8383491	Select Similar	Z
184	8415433 8415433	Select Similar	Z
185	8415436 8415436	Select Similar	Z
186	8553380 8553380	Select Similar	Z
187	8845448 8845448	Select Similar	Z
188	8845449 8845449	Select Similar	Z
189	8845462 8845462	Select Similar	Z
190	8845463 8845463	Select Similar	Z
191	8965147 8965147	Select Similar	Z
192	8996974 8996974	Select Similar	Z
193	9144920 9144920	Select Similar	Z
194	9195214 9195214	Select Similar	Z
195	9432012 9432012	Select Similar	Z
196	9601971 9601971	Select Similar	Z
197	9601972 9601972	Select Similar	Z
198	9601977 9601977	Select Similar	Z
199	9601978 9601978	Select Similar	Z
200	9602013 9602013	Select Similar	Z
201	9602014 9602014	Select Similar	Z
202	9609187 9609187	Select Similar	Z
203	9609199 9609199	Select Similar	Z
204	9730892 9730892	Select Similar	Z
205	9730893 9730893	Select Similar	Z
206	9781416 9781416	Select Similar	Z
207	12360678 12360678	Select Similar	Z
208	13125285 13125285	Select Similar	Z
209	13125286 13125286	Select Similar	Z
210	13496891 13496891	Select Similar	Z
211	13496892 13496892	Select Similar	Z
212	13520077 13520077	Select Similar	Z
213	13878959 13878959	Select Similar	Z
214	13882205 13882205	Select Similar	Z
215	15938256 15938256	Select Similar	Z
216	17282141 17282141	Select Similar	Z
217	19325360 19325360	Select Similar	Z
218	19731794 19731794	Select Similar	Z
219	19731796 19731796	Select Similar	Z
220	19893022 19893022	Select Similar	Z
221	19893025 19893025	Select Similar	Z
222	20192372 20192372	Select Similar	Z
223	20192376 20192376	Select Similar	Z
224	20446904 20446904	Select Similar	Z
225	20447474 20447474	Select Similar	Z
226	20661987 20661987	Select Similar	Z
227	22134213 22134213	Select Similar	Z
228	22134215 22134215	Select Similar	Z
229	23283076 23283076	Select Similar	Z
230	38154189 38154189	Select Similar	Z
231	55207909 55207909	Select Similar	Z
232	55292101 55292101	Select Similar	Z

Not for Sale:

The following compounds are not availabile from any known vendors:

#	ZINC ID	SMILES (Find Similar)	Score
1	439449 439449	Select Similar	Z
2	2494391 2494391	Select Similar	Z
3	2497081 2497081	Select Similar	Z
4	2497135 2497135	Select Similar	Z
5	3633301 3633301	Select Similar	Z
6	4008085 4008085	Select Similar	Z
7	4164965 4164965	Select Similar	Z
8	4165632 4165632	Select Similar	Z
9	4623560 4623560	Select Similar	Z
10	5127280 5127280	Select Similar	Z
11	6746811 6746811	Select Similar	Z
12	71933249 71933249	Select Similar	Z