Molecule card · MolClass #45999
24817550
24817550: 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
- 24817550Mitochondrial Fusion · compound_name
- MolClass ID
- 45999
- InChIKey
- NQCPUWJHDWIFIW-UHFFFAOYSA-N
- Canonical SMILES
- Cn1c(CO)cnc1S(=O)(=O)Cc2ccc(cc2)Cl
- Standard InChI
- InChI=1S/C12H13ClN2O3S/c1-15-11(7-16)6-14-12(15)19(17,18)8-9-2-4-10(13)5-3-9/h2-6,16H,7-8H2,1H3
- Stored Murcko scaffold
- n1cc[nH]c1SCc2ccccc2
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.
- 49666331#31298
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 80.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 300.763 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.063
- 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 · 24817550