Molecule card · MolClass #51435
14743184
14743184: 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
- 14743184Mitochondrial Fusion · compound_name
- MolClass ID
- 51435
- InChIKey
- ATXXZPRIZZTJII-UHFFFAOYSA-N
- Canonical SMILES
- CC3=CC(=O)N(CC1CC(=NO1)c2ccc(cc2)Cl)c4ccccc34
- Standard InChI
- InChI=1S/C20H17ClN2O2/c1-13-10-20(24)23(19-5-3-2-4-17(13)19)12-16-11-18(22-25-16)14-6-8-15(21)9-7-14/h2-10,16H,11-12H2,1H3
- Stored Murcko scaffold
- N=1OC(CC1c2ccccc2)CN3[CH]C=Cc4ccccc43
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.
No other molecules currently have this stored scaffold.
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 41.9 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 352.815 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.583
- 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 · 14743184