Molecule card · MolClass #45799
4265795
4265795: 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
- 4265795Mitochondrial Fusion · compound_name
- MolClass ID
- 45799
- InChIKey
- OTXAPFBUHCXYDI-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(c(C)cc1Cl)S(=O)(=O)n3cnc2ccccc23
- Standard InChI
- InChI=1S/C15H13ClN2O2S/c1-10-8-15(11(2)7-12(10)16)21(19,20)18-9-17-13-5-3-4-6-14(13)18/h3-9H,1-2H3
- Stored Murcko scaffold
- n1cn(Sc2ccccc2)c3ccccc13
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 60.34 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 320.796 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.742
- 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 · 4265795