Molecule card · MolClass #51557
14736743
14736743: 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
- 14736743Mitochondrial Fusion · compound_name
- MolClass ID
- 51557
- InChIKey
- USAMZNUMCMWLSZ-UHFFFAOYSA-N
- Canonical SMILES
- COc1ccc(cc1)N(C(=O)c2ccco2)S(=O)(=O)c3cc(c(cc3Cl)Cl)Cl
- Standard InChI
- InChI=1S/C18H12Cl3NO5S/c1-26-12-6-4-11(5-7-12)22(18(23)16-3-2-8-27-16)28(24,25)17-10-14(20)13(19)9-15(17)21/h2-10H,1H3
- Stored Murcko scaffold
- o1cccc1[CH]N(Sc2ccccc2)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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 85.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 460.717 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.663
- 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 · 14736743