Molecule card · MolClass #44599
14728478
14728478: 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
- 14728478Mitochondrial Fusion · compound_name
- MolClass ID
- 44599
- InChIKey
- JUJLRAIJNZPEHA-ZDUSSCGKSA-N
- Canonical SMILES
- COCCN2C(=O)NC(c1ccco1)C(C(C)=O)=C2(C)
- Standard InChI
- InChI=1S/C14H18N2O4/c1-9-12(10(2)17)13(11-5-4-7-20-11)15-14(18)16(9)6-8-19-3/h4-5,7,13H,6,8H2,1-3H3,(H,15,18)/t13-/m0/s1
- Stored Murcko scaffold
- [N]1C=CC(N[CH]1)c2occc2
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.
- 24783598#30805
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 71.78 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 278.304 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -0.031
- 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 · 14728478