Molecule card · MolClass #46460
14726669
14726669: 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
- 14726669Mitochondrial Fusion · compound_name
- MolClass ID
- 46460
- InChIKey
- KEUDDAJTQFOMKK-UHFFFAOYSA-N
- Canonical SMILES
- CC2C(=O)NC(c1ccc(cc1Cl)Cl)S2
- Standard InChI
- InChI=1S/C10H9Cl2NOS/c1-5-9(14)13-10(15-5)7-3-2-6(11)4-8(7)12/h2-5,10H,1H3,(H,13,14)
- Stored Murcko scaffold
- S1C[CH]NC1c2ccccc2
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 54.4 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 262.157 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.935
- 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 · 14726669