Molecule card · MolClass #35704
4245246
4245246: 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
- 4245246Mitochondrial Fusion · compound_name
- MolClass ID
- 35704
- InChIKey
- GUKPQGORZGLHTE-UHFFFAOYSA-N
- Canonical SMILES
- Nc1nonc1n3nncc3(c2ccccc2)
- Standard InChI
- InChI=1S/C10H8N6O/c11-9-10(14-17-13-9)16-8(6-12-15-16)7-4-2-1-3-5-7/h1-6H,(H2,11,13)
- Stored Murcko scaffold
- n1nn(-c2nonc2)c(c1)-c3ccccc3
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
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.65 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 228.211 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.983
- 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 · 4245246