Molecule card · MolClass #51054
17411581
17411581: 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
- 17411581Mitochondrial Fusion · compound_name
- MolClass ID
- 51054
- InChIKey
- WFQTZYKJWOITIP-GQCTYLIASA-N
- Canonical SMILES
- Cc1cc(C)nc(c1)NC(=O)C=Cc2ccc(cc2Cl)Cl
- Standard InChI
- InChI=1S/C16H14Cl2N2O/c1-10-7-11(2)19-15(8-10)20-16(21)6-4-12-3-5-13(17)9-14(12)18/h3-9H,1-2H3,(H,19,20,21)/b6-4+
- Stored Murcko scaffold
- n1ccccc1N[CH]C=Cc2ccccc2
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.
- 17433968#50765
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.99 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 321.202 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.737
- 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 · 17411581