Molecule card · MolClass #1669
Clebopride maleate
Clebopride maleate: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- Clebopride maleateFlucanozole Synergizer · compound_name
- MolClass ID
- 1669
- InChIKey
- BVPWJMCABCPUQY-UHFFFAOYSA-N
- Canonical SMILES
- COc3cc(N)c(cc3(C(=O)NC1CCN(CC1)Cc2ccccc2))Cl
- Standard InChI
- InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]NC2CCN(Cc3ccccc3)CC2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.59 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 373.877 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.253
- 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 · Clebopride maleate