Molecule card · MolClass #1328

Bicuculline (+)

Bicuculline (+): 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: Bicuculline (+)Flucanozole Synergizer · compound_name
MolClass ID: 1328
InChIKey: IYGYMKDQCDOMRE-ZWKOTPCHSA-N
Canonical SMILES: CN5CCc1cc6OCOc6(cc1C5(C4OC(=O)c3c4(ccc2OCOc23)))
Standard InChI: InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
Stored Murcko scaffold: O1[CH]c2c3OCOc3ccc2C1C4NCCc5cc6OCOc6cc54

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.

LOPAC 00093#1221

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 3; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 0; CDK 2.12 · 2026-08-19
Rotatable bonds: 1; CDK 2.12 · 2026-08-19
Topological polar surface area: 66.46 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 367.353 g/mol; CDK 2.12 · 2026-08-19
XLogP: 2.507; 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.

Flucanozole Synergizer
Dataset #3 · Bicuculline (+)