Molecule card · MolClass #35862
4245524
4245524: 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
- 4245524Mitochondrial Fusion · compound_name
- MolClass ID
- 35862
- InChIKey
- CXZZGGPNAGYJHU-UHFFFAOYSA-N
- Canonical SMILES
- CC(C)(O)c1cn(nn1)c2nonc2(N)
- Standard InChI
- InChI=1S/C7H10N6O2/c1-7(2,14)4-3-13(12-9-4)6-5(8)10-15-11-6/h3,14H,1-2H3,(H2,8,10)
- 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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 115.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 210.194 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.179
- 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 · 4245524