Molecule card · MolClass #47369
14736359
14736359: 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
- 14736359Mitochondrial Fusion · compound_name
- MolClass ID
- 47369
- InChIKey
- ATPBJMLEALQKOP-UHFFFAOYSA-N
- Canonical SMILES
- Cc1ccc(cc1)NC3CC(=O)N(c2ccc(C)cc2)C3(=O)
- Standard InChI
- InChI=1S/C18H18N2O2/c1-12-3-7-14(8-4-12)19-16-11-17(21)20(18(16)22)15-9-5-13(2)6-10-15/h3-10,16,19H,11H2,1-2H3
- Stored Murcko scaffold
- c1ccc(cc1)NC2[CH]N([CH]C2)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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 294.348 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.444
- 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 · 14736359