Molecule card · MolClass #52496
847502
847502: 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
- 847502Mitochondrial Fusion · compound_name
- MolClass ID
- 52496
- InChIKey
- MQWIWROEURAKNJ-UHFFFAOYSA-N
- Canonical SMILES
- CS(=O)(=O)N(CC(=O)NCc1ccc2OCOc2(c1))c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C17H17ClN2O5S/c1-26(22,23)20(14-5-3-13(18)4-6-14)10-17(21)19-9-12-2-7-15-16(8-12)25-11-24-15/h2-8H,9-11H2,1H3,(H,19,21)
- Stored Murcko scaffold
- O1c2ccc(cc2OC1)CN[CH]CNc3ccccc3
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 93.32 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 396.847 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.818
- 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 · 847502