Molecule card · MolClass #45578
14739887
14739887: 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
- 14739887Mitochondrial Fusion · compound_name
- MolClass ID
- 45578
- InChIKey
- QZPHHVQHIHSOTN-UHFFFAOYSA-N
- Canonical SMILES
- Cc2ccc(NS(=O)(=O)c1ccccc1Cl)c3OC(C)(C)Cc23
- Standard InChI
- InChI=1S/C17H18ClNO3S/c1-11-8-9-14(16-12(11)10-17(2,3)22-16)19-23(20,21)15-7-5-4-6-13(15)18/h4-9,19H,10H2,1-3H3
- Stored Murcko scaffold
- O1c2c(cccc2CC1)NSc3ccccc3
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.
- 14733311#42751
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 63.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 351.849 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.412
- 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 · 14739887