Molecule card · MolClass #51430
14742859
14742859: 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
- 14742859Mitochondrial Fusion · compound_name
- MolClass ID
- 51430
- InChIKey
- MYEKQJSGTSNJHK-VAWYXSNFSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=O)C=Cc3cn(CN2CCN(C)CC2)c4ccccc34
- Standard InChI
- InChI=1S/C24H27N3O/c1-19-7-9-20(10-8-19)24(28)12-11-21-17-27(23-6-4-3-5-22(21)23)18-26-15-13-25(2)14-16-26/h3-12,17H,13-16,18H2,1-2H3/b12-11+
- Stored Murcko scaffold
- c1ccc(cc1)[CH]C=Cc2cn(c3ccccc23)CN4CCNCC4
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 28.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 373.492 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.293
- 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 · 14742859