Molecule card · MolClass #51702
14730589
14730589: 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
- 14730589Mitochondrial Fusion · compound_name
- MolClass ID
- 51702
- InChIKey
- WINKALFVMCTYPQ-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nn(c1cccc(c1)Cl)c(O)c2c3ccc(cc3)Cl
- Standard InChI
- InChI=1S/C16H12Cl2N2O/c1-10-15(11-5-7-12(17)8-6-11)16(21)20(19-10)14-4-2-3-13(18)9-14/h2-9,21H,1H3
- Stored Murcko scaffold
- n1cc(cn1-c2ccccc2)-c3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 38.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 319.186 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 5.532
- 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 · 14730589