Molecule card · MolClass #47756
14734416
14734416: 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
- 14734416Mitochondrial Fusion · compound_name
- MolClass ID
- 47756
- InChIKey
- MHIKZXYSYIFUNK-GFCCVEGCSA-N
- Canonical SMILES
- CC(C)OC(=O)C2=C(C)NC(=O)NC2(c1ccc(C)o1)
- Standard InChI
- InChI=1S/C14H18N2O4/c1-7(2)19-13(17)11-9(4)15-14(18)16-12(11)10-6-5-8(3)20-10/h5-7,12H,1-4H3,(H2,15,16,18)/t12-/m1/s1
- Stored Murcko scaffold
- o1cccc1C2C=CN[CH]N2
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
- 5
- 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
- 80.57 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 278.304 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.624
- 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 · 14734416