Molecule card · MolClass #32056
14742067
14742067: 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
- 14742067Antifungal Pump Inhibitors · compound_name14742067Mitochondrial Fusion · compound_name
- MolClass ID
- 32056
- InChIKey
- OVNZNOHKQQYMRF-UHFFFAOYSA-N
- Canonical SMILES
- CCN1C(=O)N(C(C)=CC1(C)(C))c3cccc2ccccc23
- Standard InChI
- InChI=1S/C19H22N2O/c1-5-20-18(22)21(14(2)13-19(20,3)4)17-12-8-10-15-9-6-7-11-16(15)17/h6-13H,5H2,1-4H3
- Stored Murcko scaffold
- [N]1[CH]N(C=CC1)c2cccc3ccccc32
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.
No other molecules currently have this stored scaffold.
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 23.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 294.391 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.989
- 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.
Antifungal Pump Inhibitors
Dataset #18 · 14742067
Mitochondrial Fusion
Dataset #19 · 14742067