Molecule card · MolClass #43651
17402775
17402775: 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
- 17402775Mitochondrial Fusion · compound_name
- MolClass ID
- 43651
- InChIKey
- KPIIEULFYUJOLJ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1nc(nc2CCCc12)S(=O)(=O)c3ccc(cc3Cl)Cl
- Standard InChI
- InChI=1S/C14H12Cl2N2O2S/c1-8-10-3-2-4-12(10)18-14(17-8)21(19,20)13-6-5-9(15)7-11(13)16/h5-7H,2-4H2,1H3
- Stored Murcko scaffold
- n1cc2c(nc1Sc3ccccc3)CCC2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 68.3 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 343.23 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.7
- 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 · 17402775