Molecule card · MolClass #31269
7976235
7976235: 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
- 7976235Antifungal Pump Inhibitors · compound_name7976235Mitochondrial Fusion · compound_name
- MolClass ID
- 31269
- InChIKey
- AKLMOSNKTBJXPY-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)C3=Nc2ccccc2C(=O)N3n4cccc4
- Standard InChI
- InChI=1S/C19H15N3O/c1-14-7-6-8-15(13-14)18-20-17-10-3-2-9-16(17)19(23)22(18)21-11-4-5-12-21/h2-13H,1H3
- Stored Murcko scaffold
- N=1c2ccccc2[CH]N(C1c3ccccc3)n4cccc4
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.
- 7973973#38212
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
- 37.6 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 301.343 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.329
- 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 · 7976235
Mitochondrial Fusion
Dataset #19 · 7976235