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Popular Name: 2-[2-methyl-3-[[[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]amino]methyl]indol-1-yl]acetamid 2-[2-methyl-3-[[[(1S)-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) 1.53 7.78 -52.03 4 7 1 95 369.493 8 ↓
Hi High (pH 8-9.5) 1.53 7.06 -20.81 3 7 0 91 368.485 8 ↓

Analogs

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Popular Name: 2-[2-methyl-3-[[[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]amino]methyl]indol-1-yl]acetamid 2-[2-methyl-3-[[[(1R)-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) 1.53 8.11 -47.88 4 7 1 95 369.493 8 ↓
Hi High (pH 8-9.5) 1.53 7.38 -16.21 3 7 0 91 368.485 8 ↓

Analogs

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Popular Name: (1S)-N-[(1-isobutyl-2-methyl-indol-3-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine (1S)-N-[(1-isobutyl-2-methyl-ind…

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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) 3.15 11.66 -40.25 2 5 1 52 340.495 7 ↓
Hi High (pH 8-9.5) 3.15 10.17 -10.76 1 5 0 48 339.487 7 ↓

Analogs

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Popular Name: (1R)-N-[(1-isobutyl-2-methyl-indol-3-yl)methyl]-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine (1R)-N-[(1-isobutyl-2-methyl-ind…

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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) 3.15 11.66 -43.41 2 5 1 52 340.495 7 ↓
Hi High (pH 8-9.5) 3.15 10.21 -11.61 1 5 0 48 339.487 7 ↓

Parameters Provided:

ring.id = 520989
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 = 520989 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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