Molecule card · MolClass #45637
14729246
14729246: 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
- 14729246Mitochondrial Fusion · compound_name
- MolClass ID
- 45637
- InChIKey
- OAEZBRZLHVOXMN-GQCTYLIASA-N
- Canonical SMILES
- Cc2onc(C(=O)C=CN(C)C)c2(C(=O)Nc1nccs1)
- Standard InChI
- InChI=1S/C13H14N4O3S/c1-8-10(12(19)15-13-14-5-7-21-13)11(16-20-8)9(18)4-6-17(2)3/h4-7H,1-3H3,(H,14,15,19)/b6-4+
- Stored Murcko scaffold
- n1occ(c1)[CH]Nc2nccs2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 116.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 306.342 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.766
- 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 · 14729246