Molecule card · MolClass #32119
14740607
14740607: 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
- 14740607Antifungal Pump Inhibitors · compound_name14740607Mitochondrial Fusion · compound_name
- MolClass ID
- 32119
- InChIKey
- HBUWFKQJSGEXHX-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(Nc1ccccc1)nn2C(=O)c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C17H14ClN3O/c1-12-11-16(19-15-5-3-2-4-6-15)20-21(12)17(22)13-7-9-14(18)10-8-13/h2-11H,1H3,(H,19,20)
- Stored Murcko scaffold
- n1c(ccn1[CH]c2ccccc2)Nc3ccccc3
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.
- 1596193#16045
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 46.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 311.766 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.471
- 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 · 14740607
Mitochondrial Fusion
Dataset #19 · 14740607