Molecule card · MolClass #42605
4256495
4256495: 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
- 4256495Mitochondrial Fusion · compound_name
- MolClass ID
- 42605
- InChIKey
- ZFKITOHWRNGKFE-UHFFFAOYSA-N
- Canonical SMILES
- CCCOc1cc(C)c(cc1(C))S(=O)(=O)n2ccc(C)n2
- Standard InChI
- InChI=1S/C15H20N2O3S/c1-5-8-20-14-9-12(3)15(10-11(14)2)21(18,19)17-7-6-13(4)16-17/h6-7,9-10H,5,8H2,1-4H3
- Stored Murcko scaffold
- n1cccn1Sc2ccccc2
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.
View all molecules with this 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
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 69.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 308.398 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.973
- 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 · 4256495