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Analogs

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Popular Name: 7-chloro-5-(2-chlorophenyl)-N-[(1S)-2,2-dimethoxy-1-methyl-ethyl]-3H-1,4-benzodiazepin-2-amine 7-chloro-5-(2-chlorophenyl)-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) 4.00 7.47 -8.91 1 5 0 55 406.313 6 ↓
Lo Low (pH 4.5-6) 4.00 8.52 -32.82 2 5 1 57 407.321 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-chloro-5-(2-chlorophenyl)-N-[(1R)-2,2-dimethoxy-1-methyl-ethyl]-3H-1,4-benzodiazepin-2-amine 7-chloro-5-(2-chlorophenyl)-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) 4.00 7.54 -7.38 1 5 0 55 406.313 6 ↓
Lo Low (pH 4.5-6) 4.00 8.47 -33.5 2 5 1 57 407.321 6 ↓

Parameters Provided:

ring.id = 604920
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 = 604920 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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