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Analogs

20900762
20900762

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Popular Name: N-[3-(4-ethylpiperazin-1-yl)propyl]-8-methyl-4,5-dihydro-1H-furo[5,4-g]indazole-7-carboxamide N-[3-(4-ethylpiperazin-1-yl)prop…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.70 5.8 -44.27 3 7 1 79 372.493 6 ↓
Hi High (pH 8-9.5) 1.70 3.53 -17.14 2 7 0 77 371.485 6 ↓

Analogs

20900761
20900761

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Popular Name: 8-methyl-N-[3-(4-propylpiperazin-1-yl)propyl]-4,5-dihydro-1H-furo[5,4-g]indazole-7-carboxamide 8-methyl-N-[3-(4-propylpiperazin…

Find On: PubMed — Wikipedia — Google

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.21 6.55 -45 3 7 1 79 386.52 7 ↓
Hi High (pH 8-9.5) 2.21 4.28 -17.05 2 7 0 77 385.512 7 ↓

Parameters Provided:

ring.id = 82610
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 82610 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=82610&filter.purchasability=annotated

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