Molecule card · MolClass #47950
14741536
14741536: 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
- 14741536Mitochondrial Fusion · compound_name
- MolClass ID
- 47950
- InChIKey
- BNATYEFQCUHVCT-GZTJUZNOSA-N
- Canonical SMILES
- Oc2oc(nc2(C=Nc1ccccc1))c3ccccc3
- Standard InChI
- InChI=1S/C16H12N2O2/c19-16-14(11-17-13-9-5-2-6-10-13)18-15(20-16)12-7-3-1-4-8-12/h1-11,19H/b17-11+
- Stored Murcko scaffold
- N(=Cc1nc(oc1)-c2ccccc2)c3ccccc3
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.
- 7975629#47472
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 58.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 264.279 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.569
- 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.
Mitochondrial Fusion
Dataset #19 · 14741536