Molecule card · MolClass #2266

BENAZEPRIL HYDROCHLORIDE

BENAZEPRIL HYDROCHLORIDE: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names: BENAZEPRIL HYDROCHLORIDECompound accumulation in C. elegans · compound_name
MolClass ID: 2266
InChIKey: XPCFTKFZXHTYIP-PMACEKPBSA-N
Canonical SMILES: CCOC(=O)C(CCc1ccccc1)NC3CCc2ccccc2N(CC(=O)O)C3(=O)
Standard InChI: InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1
Stored Murcko scaffold: [N]1[CH]C(NCCCc2ccccc2)CCc3ccccc13

Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.

Molecules with the same Murcko scaffold

Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.

CCOC(=O)C(CCc1ccccc1)NC1CCc2ccccc2N(CC(=O)O)C1=O.Cl#156068

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 7; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 2; CDK 2.12 · 2026-08-19
Rotatable bonds: 10; CDK 2.12 · 2026-08-19
Topological polar surface area: 95.94 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 424.49 g/mol; CDK 2.12 · 2026-08-19
XLogP: 1.111; CDK 2.12 · 2026-08-19

Saved model predictions

Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Compound accumulation in C. elegans
Dataset #4 · -12.848038359104