Molecule card · MolClass #47486
7970526
7970526: 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
- 7970526Mitochondrial Fusion · compound_name
- MolClass ID
- 47486
- InChIKey
- OVQMMRLLQGDWGA-UHFFFAOYSA-N
- Canonical SMILES
- CN3C(=O)C=C(NC(=O)c1ccc2OCOc2(c1))N(C)C3(=O)
- Standard InChI
- InChI=1S/C14H13N3O5/c1-16-11(6-12(18)17(2)14(16)20)15-13(19)8-3-4-9-10(5-8)22-7-21-9/h3-6H,7H2,1-2H3,(H,15,19)
- Stored Murcko scaffold
- n1cnc(cc1)N[CH]c2ccc3OCOc3c2
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 88.18 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 303.271 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.361
- 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 · 7970526