Molecule card · MolClass #51764
14728974
14728974: 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
- 14728974Mitochondrial Fusion · compound_name
- MolClass ID
- 51764
- InChIKey
- ZFEZVADMEJNJRQ-ZHACJKMWSA-N
- Canonical SMILES
- Cc1ccc(cc1)C=CC=3CCC(=O)N(Cc2ccccc2Cl)N=3
- Standard InChI
- InChI=1S/C20H19ClN2O/c1-15-6-8-16(9-7-15)10-11-18-12-13-20(24)23(22-18)14-17-4-2-3-5-19(17)21/h2-11H,12-14H2,1H3/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
- 338.831 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.843
- 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 · 14728974