Molecule card · MolClass #46244
14733063
14733063: 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
- 14733063Mitochondrial Fusion · compound_name
- MolClass ID
- 46244
- InChIKey
- CMLBJQCMHSAAJP-UHFFFAOYSA-N
- Canonical SMILES
- N#CC(c1ccc(nn1)Cl)c2ccccc2Cl
- Standard InChI
- InChI=1S/C12H7Cl2N3/c13-10-4-2-1-3-8(10)9(7-15)11-5-6-12(14)17-16-11/h1-6,9H
- Stored Murcko scaffold
- n1nc(ccc1)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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 264.11 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.567
- 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 · 14733063