Molecule card · MolClass #1574
Fendiline hydrochloride
Fendiline hydrochloride: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- Fendiline hydrochlorideFlucanozole Synergizer · compound_name
- MolClass ID
- 1574
- InChIKey
- NMKSAYKQLCHXDK-UHFFFAOYSA-N
- Canonical SMILES
- CC(NCCC(c1ccccc1)c2ccccc2)c3ccccc3
- Standard InChI
- InChI=1S/C23H25N/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23-24H,17-18H2,1H3
- Stored Murcko scaffold
- c1ccc(cc1)CNCCC(c2ccccc2)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.
- 17513814#34987
- 17514171#50405
- 17514205#50414
- 17514166#50417
- Cl.CC(NCCC(c1ccccc1)c1ccccc1)c1ccccc1#155311
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 12.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 315.452 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.776
- 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 · Fendiline hydrochloride
BetaCell Transdifferentiation
Dataset #11 · 1215