Molecule card · MolClass #45757
14730020
14730020: 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
- 14730020Mitochondrial Fusion · compound_name
- MolClass ID
- 45757
- InChIKey
- YWYFAZSQPIENFY-UHFFFAOYSA-N
- Canonical SMILES
- CNC(=O)c1c(ccs1)S(=O)(=O)Cc2c(cccc2Cl)Cl
- Standard InChI
- InChI=1S/C13H11Cl2NO3S2/c1-16-13(17)12-11(5-6-20-12)21(18,19)7-8-9(14)3-2-4-10(8)15/h2-6H,7H2,1H3,(H,16,17)
- Stored Murcko scaffold
- s1ccc(SCc2ccccc2)c1
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.
- 14730021#30006
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
- 99.86 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 364.27 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.654
- 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 · 14730020