Molecule card · MolClass #36503
7966072
7966072: 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
- 7966072Mitochondrial Fusion · compound_name
- MolClass ID
- 36503
- InChIKey
- HOCUKQUIIIWNJY-UHFFFAOYSA-N
- Canonical SMILES
- CN4C(=O)C3=C(OC(C)(C)C2COc1ccccc1C23)N(C)C4(=O)
- Standard InChI
- InChI=1S/C18H20N2O4/c1-18(2)11-9-23-12-8-6-5-7-10(12)13(11)14-15(21)19(3)17(22)20(4)16(14)24-18/h5-8,11,13H,9H2,1-4H3
- Stored Murcko scaffold
- n1cnc2OCC3COc4ccccc4C3c2c1
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.08 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 328.363 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.921
- 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 · 7966072