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Popular Name: 4-[(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methyl]benzamide 4-[(1-methyl-3,5-dihydro-2H-1,4-…

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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) 1.87 7.34 -47.12 3 4 1 51 296.394 3 ↓
Hi High (pH 8-9.5) 1.87 5.27 -10.27 2 4 0 50 295.386 3 ↓

Analogs

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Popular Name: 4-[(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methyl]-3-nitro-benzamide 4-[(1-methyl-3,5-dihydro-2H-1,4-…

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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) 1.76 8 -52.96 3 7 1 97 341.391 4 ↓
Hi High (pH 8-9.5) 1.76 6.27 -17.99 2 7 0 95 340.383 4 ↓

Parameters Provided:

ring.id = 271833
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

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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 = 271833 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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