Molecule card · MolClass #48811
17386464
17386464: 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
- 17386464Mitochondrial Fusion · compound_name
- MolClass ID
- 48811
- InChIKey
- KCFWEGFICYIDCE-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)NC(=O)NS(=O)(=O)c1cnccc1Sc2cc(cc(c2)Cl)Cl
- Standard InChI
- InChI=1S/C15H15Cl2N3O3S2/c1-9(2)19-15(21)20-25(22,23)14-8-18-4-3-13(14)24-12-6-10(16)5-11(17)7-12/h3-9H,1-2H3,(H2,19,20,21)
- Stored Murcko scaffold
- n1ccc(Sc2ccccc2)cc1
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 121.84 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 420.337 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.467
- 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 · 17386464