Molecule card · MolClass #51664
14732833
14732833: 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
- 14732833Mitochondrial Fusion · compound_name
- MolClass ID
- 51664
- InChIKey
- YMZVLZHCYJIACQ-UHFFFAOYSA-N
- Canonical SMILES
- c3cnc4nc(c1ccc(cc1Cl)Cl)n(OCc2ccc(cc2)Cl)c4(c3)
- Standard InChI
- InChI=1S/C19H12Cl3N3O/c20-13-5-3-12(4-6-13)11-26-25-17-2-1-9-23-18(17)24-19(25)15-8-7-14(21)10-16(15)22/h1-10H,11H2
- Stored Murcko scaffold
- n1cccc2c1nc(-c3ccccc3)n2OCc4ccccc4
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 39.94 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 404.678 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.84
- 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 · 14732833