Molecule card · MolClass #1347
Minaprine dihydrochloride
Minaprine dihydrochloride: 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
- Minaprine dihydrochlorideFlucanozole Synergizer · compound_name
- MolClass ID
- 1347
- InChIKey
- LDMWSLGGVTVJPG-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(nnc2(NCCN1CCOCC1))c3ccccc3
- Standard InChI
- InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)
- Stored Murcko scaffold
- n1nc(ccc1NCCN2CCOCC2)-c3ccccc3
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 50.28 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 298.383 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.022
- 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 · Minaprine dihydrochloride