Molecule card · MolClass #51762
14729239
14729239: 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
- 14729239Mitochondrial Fusion · compound_name
- MolClass ID
- 51762
- InChIKey
- ZXUIHBQNPSDKNZ-FOCLMDBBSA-N
- Canonical SMILES
- COc1ccc(cc1)CS(=O)(=O)C(=C(C(=O)Nc2ccc(nc2)OC)Cl)Cl
- Standard InChI
- InChI=1S/C17H16Cl2N2O5S/c1-25-13-6-3-11(4-7-13)10-27(23,24)16(19)15(18)17(22)21-12-5-8-14(26-2)20-9-12/h3-9H,10H2,1-2H3,(H,21,22)/b16-15+
- Stored Murcko scaffold
- n1cccc(c1)N[CH]C=CSCc2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 431.292 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.751
- 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 · 14729239