Molecule card · MolClass #45966
7976670
7976670: 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
- 7976670Mitochondrial Fusion · compound_name
- MolClass ID
- 45966
- InChIKey
- XLWKRKZCLXLKAC-UHFFFAOYSA-N
- Canonical SMILES
- COC2=CC(=O)NC(=O)N2(C(=O)Cc1ccccc1)
- Standard InChI
- InChI=1S/C13H12N2O4/c1-19-12-8-10(16)14-13(18)15(12)11(17)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,16,18)
- Stored Murcko scaffold
- c1ccc(cc1)C[CH]N2C=C[CH]N[CH]2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 75.71 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 260.246 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.502
- 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 · 7976670