Molecule card · MolClass #42674
14744531
14744531: 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
- 14744531Mitochondrial Fusion · compound_name
- MolClass ID
- 42674
- InChIKey
- RZWWGOCLMSGROE-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(C)n2nc(nc2(n1))S(=O)(=O)Nc3c(cccc3Cl)Cl
- Standard InChI
- InChI=1S/C13H11Cl2N5O2S/c1-7-6-8(2)20-12(16-7)17-13(18-20)23(21,22)19-11-9(14)4-3-5-10(11)15/h3-6,19H,1-2H3
- Stored Murcko scaffold
- n1cccn2nc(nc12)SNc3ccccc3
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.63 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 372.231 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.573
- 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 · 14744531