Molecule card · MolClass #35783
4240875
4240875: 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
- 4240875Mitochondrial Fusion · compound_name
- MolClass ID
- 35783
- InChIKey
- QYVSNRXIAXHSEF-UHFFFAOYSA-N
- Canonical SMILES
- CCOC(=O)c1nnn(c1(C))c2nonc2(NC(C)=O)
- Standard InChI
- InChI=1S/C10H12N6O4/c1-4-19-10(18)7-5(2)16(15-12-7)9-8(11-6(3)17)13-20-14-9/h4H2,1-3H3,(H,11,13,17)
- Stored Murcko scaffold
- n1nn(cc1)-c2nonc2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 125.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 280.24 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.02
- 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 · 4240875