Molecule card · MolClass #36135
24798283
24798283: 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
- 24798283Mitochondrial Fusion · compound_name
- MolClass ID
- 36135
- InChIKey
- APLSVTZJVMTITH-UHFFFAOYSA-N
- Canonical SMILES
- C=CSc1c(c(c(Cl)s1)N(C)C)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C8H9ClN2O2S2/c1-4-14-8-6(11(12)13)5(10(2)3)7(9)15-8/h4H,1H2,2-3H3
- Stored Murcko scaffold
- s1cccc1
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 99.92 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 264.755 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.182
- 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 · 24798283