Molecule card · MolClass #42806
14730094
14730094: 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
- 14730094Mitochondrial Fusion · compound_name
- MolClass ID
- 42806
- InChIKey
- UIVOODSGJGUJCE-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1(C))N2CCN(CC2)CC=3OC(CO)=CC(=O)C=3(O)
- Standard InChI
- InChI=1S/C19H24N2O4/c1-13-4-3-5-16(14(13)2)21-8-6-20(7-9-21)11-18-19(24)17(23)10-15(12-22)25-18/h3-5,10,22,24H,6-9,11-12H2,1-2H3
- Stored Murcko scaffold
- O1C=C[CH]C=C1CN2CCN(c3ccccc3)CC2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 73.24 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 344.406 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.225
- 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 · 14730094