Molecule card · MolClass #28153
7967987
7967987: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 7967987Antifungal Pump Inhibitors · compound_name
- MolClass ID
- 28153
- InChIKey
- OOOALQBGZHYFSP-UHFFFAOYSA-N
- Canonical SMILES
- Cc3noc(C(=O)N2CC1(C)(CC2(CC(C)(C)C1)))c3Cl
- Standard InChI
- InChI=1S/C15H21ClN2O2/c1-9-11(16)12(20-17-9)13(19)18-8-15(4)6-10(18)5-14(2,3)7-15/h10H,5-8H2,1-4H3
- Stored Murcko scaffold
- n1oc(cc1)[CH]N2CC3CCCC2C3
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
- 46.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 296.793 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.852
- 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 · 7967987