Molecule card · MolClass #1995
Moricizine hydrochloride
Moricizine hydrochloride: 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
- Moricizine hydrochlorideFlucanozole Synergizer · compound_name
- MolClass ID
- 1995
- InChIKey
- FUBVWMNBEHXPSU-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)Nc1ccc4c(c1)N(C(=O)CCN2CCOCC2)c3ccccc3S4
- Standard InChI
- InChI=1S/C22H25N3O4S/c1-2-29-22(27)23-16-7-8-20-18(15-16)25(17-5-3-4-6-19(17)30-20)21(26)9-10-24-11-13-28-14-12-24/h3-8,15H,2,9-14H2,1H3,(H,23,27)
- Stored Murcko scaffold
- O1CCN(CC1)CC[CH]N2c3ccccc3Sc4ccccc42
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 96.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 427.519 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.288
- 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 · Moricizine hydrochloride