Molecule card · MolClass #44345
857343
857343: 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
- 857343Mitochondrial Fusion · compound_name
- MolClass ID
- 44345
- InChIKey
- JFHAMNVZHGKQDQ-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)C1=C(C)NC(=O)NC1(C)
- Standard InChI
- InChI=1S/C9H14N2O3/c1-4-14-8(12)7-5(2)10-9(13)11-6(7)3/h5H,4H2,1-3H3,(H2,10,11,13)
- Stored Murcko scaffold
- C1=CCN[CH]N1
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 67.43 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 198.219 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.182
- 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 · 857343