Molecule card · MolClass #31985
7966620
7966620: 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
- 7966620Antifungal Pump Inhibitors · compound_name7966620Mitochondrial Fusion · compound_name
- MolClass ID
- 31985
- InChIKey
- VUFZGYDWSOSQLG-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc5c(c1)c2CCCC4c2n5(CCN4(C(=O)C3CC3))
- Standard InChI
- InChI=1S/C19H22N2O/c1-12-5-8-16-15(11-12)14-3-2-4-17-18(14)20(16)9-10-21(17)19(22)13-6-7-13/h5,8,11,13,17H,2-4,6-7,9-10H2,1H3
- Stored Murcko scaffold
- c1ccc2c(c1)c3c4n2CCN([CH]C5CC5)C4CCC3
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
- 2
- 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
- 25.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 294.391 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.352
- 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 · 7966620
Mitochondrial Fusion
Dataset #19 · 7966620