Molecule card · MolClass #46439
24801479
24801479: 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
- 24801479Mitochondrial Fusion · compound_name
- MolClass ID
- 46439
- InChIKey
- PVKDPHIJTKZPKN-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nc3c(O)nc1ccccc1c3(o2)
- Standard InChI
- InChI=1S/C11H8N2O2/c1-6-12-9-10(15-6)7-4-2-3-5-8(7)13-11(9)14/h2-5H,1H3,(H,13,14)
- Stored Murcko scaffold
- n1coc2c1cnc3ccccc32
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 0
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 59.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 200.194 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.868
- 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 · 24801479