Molecule card · MolClass #30838
7965221
7965221: 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
- 7965221Antifungal Pump Inhibitors · compound_name7965221Mitochondrial Fusion · compound_name
- MolClass ID
- 30838
- InChIKey
- QZDNLBVOEIYCGV-UHFFFAOYSA-N
- Canonical SMILES
- O=C(c1cnn2ccccc12)N4CCCc3ccccc34
- Standard InChI
- InChI=1S/C17H15N3O/c21-17(14-12-18-20-11-4-3-9-16(14)20)19-10-5-7-13-6-1-2-8-15(13)19/h1-4,6,8-9,11-12H,5,7,10H2
- Stored Murcko scaffold
- n1cc([CH]N2c3ccccc3CCC2)c4ccccn14
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
- 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
- 37.61 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 277.321 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.815
- 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 · 7965221
Mitochondrial Fusion
Dataset #19 · 7965221