Molecule card · MolClass #30502
24807801
24807801: 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
- 24807801Antifungal Pump Inhibitors · compound_name24807801Mitochondrial Fusion · compound_name
- MolClass ID
- 30502
- InChIKey
- KVSKHGWQMZXGQL-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc2CC(C)(C)N=C(C)c2(cc1(C))
- Standard InChI
- InChI=1S/C14H19N/c1-9-6-12-8-14(4,5)15-11(3)13(12)7-10(9)2/h6-7H,8H2,1-5H3
- Stored Murcko scaffold
- N1=Cc2ccccc2CC1
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 12.36 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 201.308 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.463
- 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 · 24807801
Mitochondrial Fusion
Dataset #19 · 24807801