Molecule card · MolClass #25838
22412484
22412484: 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
- 22412484Antifungal Pump Inhibitors · compound_name22412484Mitochondrial Fusion · compound_name
- MolClass ID
- 25838
- InChIKey
- OJLIOAQEPDBLBS-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)[n+](o1)C4C2CC3CC(C2)CC4(C3)
- Standard InChI
- InChI=1S/C15H22NO/c1-9-3-10(2)17-16(9)15-13-5-11-4-12(7-13)8-14(15)6-11/h3,11-15H,4-8H2,1-2H3/q+1
- Stored Murcko scaffold
- o1ccc[n+]1C2C3CC4CC(C3)CC2C4
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
- 0
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 17.02 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 232.342 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.411
- 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 · 22412484
Mitochondrial Fusion
Dataset #19 · 22412484