Molecule card · MolClass #46029
24818125
24818125: 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
- 24818125Mitochondrial Fusion · compound_name
- MolClass ID
- 46029
- InChIKey
- YLGRLGJFIILJQM-UHFFFAOYSA-N
- Canonical SMILES
- CCS(=O)(=O)c2ccc(C(=O)NC1CC1)c(c2Cl)Cl
- Standard InChI
- InChI=1S/C12H13Cl2NO3S/c1-2-19(17,18)9-6-5-8(10(13)11(9)14)12(16)15-7-3-4-7/h5-7H,2-4H2,1H3,(H,15,16)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]NC2CC2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.62 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 322.209 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.093
- 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 · 24818125