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Analogs

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Popular Name: 2-[(1E,3E,5Z)-5-indolin-2-ylidenepenta-1,3-dienyl]-3H-indole 2-[(1E,3E,5Z)-5-indolin-2-yliden…

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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) 5.08 11.69 -9.72 1 2 0 24 298.389 3 ↓

Analogs

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Popular Name: 2-[(1Z,3Z,5E)-5-indolin-2-ylidenepenta-1,3-dienyl]-3H-indole 2-[(1Z,3Z,5E)-5-indolin-2-yliden…

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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) 5.08 11.97 -9.6 1 2 0 24 298.389 3 ↓

Analogs

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Popular Name: 2-[(1Z,3E,5E)-5-indolin-2-ylidenepenta-1,3-dienyl]-3H-indole 2-[(1Z,3E,5E)-5-indolin-2-yliden…

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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) 5.08 12.15 -9.26 1 2 0 24 298.389 3 ↓

Analogs

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Popular Name: 2-[(E,3Z)-3-indolin-2-ylideneprop-1-enyl]-3H-indole 2-[(E,3Z)-3-indolin-2-ylidenepro…

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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) 4.56 10.11 -8.73 1 2 0 24 272.351 2 ↓

Analogs

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Popular Name: 2-[(Z,3E)-3-indolin-2-ylideneprop-1-enyl]-3H-indole 2-[(Z,3E)-3-indolin-2-ylidenepro…

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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) 4.56 10.71 -8.15 1 2 0 24 272.351 2 ↓

Analogs

16605558
16605558
25762968
25762968
25763263
25763263
34349820
34349820
34531252
34531252

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Popular Name: 2-[(Z)-2-[(3E)-2-chloro-3-[(2Z)-2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]-1-cyclohexenyl]vinyl 2-[(Z)-2-[(3E)-2-chloro-3-[(2Z)-…

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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) 4.93 19.07 -23.85 0 2 1 6 484.107 3 ↓

Analogs

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Popular Name: 2-[(Z)-2-[(3E)-2-chloro-3-[(2E)-2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]-1-cyclohexenyl]vinyl 2-[(Z)-2-[(3E)-2-chloro-3-[(2E)-…

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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) 4.93 19.11 -24.01 0 2 1 6 484.107 3 ↓

Analogs

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Popular Name: (2Z)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(1,3,3,5-tetramethylindol-1-ium-2-yl)vinyl]-1-cyclohex-2-enylidene (2Z)-2-[(2E)-2-[2-chloro-3-[(Z)-…

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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) 5.78 20.52 -23.32 0 2 1 6 512.161 3 ↓

Analogs

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Popular Name: (2E)-2-[(2E)-2-[2-chloro-3-[(Z)-2-(1,3,3,5-tetramethylindol-1-ium-2-yl)vinyl]-1-cyclohex-2-enylidene (2E)-2-[(2E)-2-[2-chloro-3-[(Z)-…

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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) 5.78 20.37 -23.73 0 2 1 6 512.161 3 ↓

Analogs

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Popular Name: N-[(2E)-2-(1,3,3-trimethylindolin-2-ylidene)ethanethioyl]furan-2-carboxamide N-[(2E)-2-(1,3,3-trimethylindoli…

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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) -0.44 10.4 -19.55 1 4 0 45 326.421 3 ↓

Analogs

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Popular Name: N-[2-(5-Methoxy-3H-indol-3-yl)ethyl]-N-(pyridin-3-ylmethyl)amine N-[2-(5-Methoxy-3H-indol-3-yl)et…

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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) 1.91 6.26 -58.54 2 4 1 51 282.367 6 ↓
Ref Reference (pH 7) 1.91 6.26 -58.69 2 4 1 51 282.367 6 ↓
Hi High (pH 8-9.5) 1.91 4.9 -10.71 1 4 0 47 281.359 6 ↓

Analogs

34541426
34541426

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Popular Name: 2,3,3-trimethyl-1-[10-(2,3,3-trimethylindol-1-ium-1-yl)decyl]indol-1-ium 2,3,3-trimethyl-1-[10-(2,3,3-tri…

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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) 1.88 5.26 -60.22 0 2 2 6 458.734 11 ↓

Analogs

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Popular Name: (E)-N,N-dimethyl-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenamine (E)-N,N-dimethyl-2-(1,3,3-trimet…

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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) -0.86 8.85 -23.15 0 2 1 6 229.347 2 ↓

Analogs

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Popular Name: Methyl 3-cyclohexyl-2-(2-hydroxyphenyl)-1H-indole-6-carboxylate Methyl 3-cyclohexyl-2-(2-hydroxy…

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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) 5.53 9.49 -7.63 2 4 0 62 349.43 4 ↓
Hi High (pH 8-9.5) 5.70 10.12 -61.12 0 4 -1 62 348.422 4 ↓
Hi High (pH 8-9.5) 5.53 10.24 -45.14 1 4 -1 65 348.422 4 ↓

Analogs

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Popular Name: N-cyclopropyl-2-(3H-indol-2-ylsulfanyl)-N-methyl-acetamide N-cyclopropyl-2-(3H-indol-2-ylsu…

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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) 2.17 7.32 -9.68 0 3 0 33 260.362 4 ↓

Analogs

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Popular Name: (2R)-2-(3H-indol-2-ylsulfanyl)-N-isobutyl-propanamide (2R)-2-(3H-indol-2-ylsulfanyl)-N…

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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) 3.04 7.04 -8.43 1 3 0 41 276.405 5 ↓

Analogs

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Popular Name: (2S)-2-(3H-indol-2-ylsulfanyl)-N-isobutyl-propanamide (2S)-2-(3H-indol-2-ylsulfanyl)-N…

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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) 3.04 7.04 -8.51 1 3 0 41 276.405 5 ↓

Analogs

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Popular Name: 3-[2-(3H-indol-2-ylsulfanyl)ethyl]-5,5-dimethyl-imidazolidine-2,4-dione 3-[2-(3H-indol-2-ylsulfanyl)ethy…

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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) 2.12 5.63 -12.56 1 5 0 62 303.387 4 ↓

Analogs

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Popular Name: (3R)-3-(4-methylpiperazin-1-yl)-2-phenyl-3H-indol-5-ol (3R)-3-(4-methylpiperazin-1-yl)-…

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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) 2.73 5.36 -42.67 2 4 1 40 308.405 2 ↓
Mid Mid (pH 6-8) 2.73 2.98 -7.01 1 4 0 39 307.397 2 ↓

Analogs

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Popular Name: 4,6,7-trimethoxy-N-[(6-pyrazol-1-yl-3-pyridyl)methyl]-1H-indole-2-carboxamide 4,6,7-trimethoxy-N-[(6-pyrazol-1…

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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) 1.50 5.54 -15.26 1 9 0 100 407.43 7 ↓

Analogs

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Popular Name: 4,6-dimethyl-N-[(3R)-3-methyl-1,1-dioxo-thiolan-3-yl]-1H-indole-2-carboxamide 4,6-dimethyl-N-[(3R)-3-methyl-1,…

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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) 2.36 3.44 -15.86 2 5 0 79 320.414 2 ↓

Analogs

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Popular Name: 4,6-dimethyl-N-[(3S)-3-methyl-1,1-dioxo-thiolan-3-yl]-1H-indole-2-carboxamide 4,6-dimethyl-N-[(3S)-3-methyl-1,…

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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) 2.36 3.4 -15.7 2 5 0 79 320.414 2 ↓

Parameters Provided:

ring.id = 14669
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 = 14669 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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