Molecule card · MolClass #45400
842764
842764: 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
- 842764Mitochondrial Fusion · compound_name
- MolClass ID
- 45400
- InChIKey
- UARXKDKTPHIBCN-UHFFFAOYSA-N
- Canonical SMILES
- CCN(CC)C(NC(=O)c1ccccc1)C(=O)c2ccccc2
- Standard InChI
- InChI=1S/C19H22N2O2/c1-3-21(4-2)18(17(22)15-11-7-5-8-12-15)20-19(23)16-13-9-6-10-14-16/h5-14,18H,3-4H2,1-2H3,(H,20,23)
- Stored Murcko scaffold
- c1ccc(cc1)[CH]NC[CH]c2ccccc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 8
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 310.391 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.727
- 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 · 842764