Molecule card · MolClass #49302
24814501
24814501: 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
- 24814501Mitochondrial Fusion · compound_name
- MolClass ID
- 49302
- InChIKey
- KBUVHVRMEGICBK-ZZEZOPTASA-N
- Canonical SMILES
- CC(C)c1ccc(cc1)S(=O)(=O)N=C2C=CC(=O)c3ccccc23
- Standard InChI
- InChI=1S/C19H17NO3S/c1-13(2)14-7-9-15(10-8-14)24(22,23)20-18-11-12-19(21)17-6-4-3-5-16(17)18/h3-13H,1-2H3/b20-18-
- Stored Murcko scaffold
- N(Sc1ccccc1)=C2C=C[CH]c3ccccc23
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.
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 339.41 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.266
- 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 · 24814501