Molecule card · MolClass #48543
14738260
14738260: 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
- 14738260Mitochondrial Fusion · compound_name
- MolClass ID
- 48543
- InChIKey
- AZTXKAHUOWXJHJ-UHFFFAOYSA-N
- Canonical SMILES
- CCOCCCNC(=O)C(NC(=O)c1ccc(O)nc1)c2ccc(cc2)Cl
- Standard InChI
- InChI=1S/C19H22ClN3O4/c1-2-27-11-3-10-21-19(26)17(13-4-7-15(20)8-5-13)23-18(25)14-6-9-16(24)22-12-14/h4-9,12,17H,2-3,10-11H2,1H3,(H,21,26)(H,22,24)(H,23,25)
- Stored Murcko scaffold
- n1cccc(c1)[CH]NCc2ccccc2
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
- 7
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 3
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 11
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 100.55 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 391.849 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.457
- 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 · 14738260