Molecule card · MolClass #1300

Glimepiride

Glimepiride: 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: GlimepirideFlucanozole Synergizer · compound_name
MolClass ID: 1300
InChIKey: WIGIZIANZCJQQY-RUCARUNLSA-N
Canonical SMILES: CCC3=C(C)CN(C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC2CCC(C)CC2)C3(=O)
Standard InChI: InChI=1S/C24H34N4O5S/c1-4-21-17(3)15-28(22(21)29)24(31)25-14-13-18-7-11-20(12-8-18)34(32,33)27-23(30)26-19-9-5-16(2)6-10-19/h7-8,11-12,16,19H,4-6,9-10,13-15H2,1-3H3,(H,25,31)(H2,26,27,30)/t16-,19-
Stored Murcko scaffold: S(N[CH]NC1CCCCC1)c2ccc(cc2)CCN[CH]N3[CH]C=CC3

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.

CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC2CCC(C)CC2)C1=O#155300

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 9; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 3; CDK 2.12 · 2026-08-19
Rotatable bonds: 11; CDK 2.12 · 2026-08-19
Topological polar surface area: 133.06 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 490.618 g/mol; CDK 2.12 · 2026-08-19
XLogP: 3.791; 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.

No saved predictions yet. Explore classification models to choose a prediction.

Source datasets

Dataset registrations and identifiers stored in MolClass.

Flucanozole Synergizer
Dataset #3 · Glimepiride