Molecule card · MolClass #51644
14733187
14733187: 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
- 14733187Mitochondrial Fusion · compound_name
- MolClass ID
- 51644
- InChIKey
- CNUKJAQIUYMNAS-ZHACJKMWSA-N
- Canonical SMILES
- O=C3CCC(C=Cc1ccccc1)=NN3(Cc2ccccc2Cl)
- Standard InChI
- InChI=1S/C19H17ClN2O/c20-18-9-5-4-8-16(18)14-22-19(23)13-12-17(21-22)11-10-15-6-2-1-3-7-15/h1-11H,12-14H2/b11-10+
- Stored Murcko scaffold
- N1=C(C=Cc2ccccc2)CC[CH]N1Cc3ccccc3
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
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 32.67 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 324.805 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.406
- 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 · 14733187