Molecule card · MolClass #51632
14732923
14732923: 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
- 14732923Mitochondrial Fusion · compound_name
- MolClass ID
- 51632
- InChIKey
- ZMHQYUSXUHEFCD-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(C)c1ccc(cc1)OC(=O)c2ccc3nsnc3(c2)
- Standard InChI
- InChI=1S/C17H16N2O2S/c1-17(2,3)12-5-7-13(8-6-12)21-16(20)11-4-9-14-15(10-11)19-22-18-14/h4-10H,1-3H3
- Stored Murcko scaffold
- n1snc2cc([CH]Oc3ccccc3)ccc12
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 312.388 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.528
- 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 · 14732923