Molecule card · MolClass #50694
17504373
17504373: 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
- 17504373Mitochondrial Fusion · compound_name
- MolClass ID
- 50694
- InChIKey
- SHNFSOVUWRZDMY-UHFFFAOYSA-N
- Canonical SMILES
- CCCCOc2ccc(CONS(=O)(=O)c1ccc(cc1)NC(C)=O)cc2Cl
- Standard InChI
- InChI=1S/C19H23ClN2O5S/c1-3-4-11-26-19-10-5-15(12-18(19)20)13-27-22-28(24,25)17-8-6-16(7-9-17)21-14(2)23/h5-10,12,22H,3-4,11,13H2,1-2H3,(H,21,23)
- Stored Murcko scaffold
- O(NSc1ccccc1)Cc2ccccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 11
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.11 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 426.916 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.263
- 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 · 17504373