Molecule card · MolClass #47297
24823121
24823121: 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
- 24823121Mitochondrial Fusion · compound_name
- MolClass ID
- 47297
- InChIKey
- CDJQIJFWTUEUFF-UHFFFAOYSA-N
- Canonical SMILES
- Cn2ncc1c(O)ncnc12
- Standard InChI
- InChI=1S/C6H6N4O/c1-10-5-4(2-9-10)6(11)8-3-7-5/h2-3H,1H3,(H,7,8,11)
- Stored Murcko scaffold
- n1cnc2[nH]ncc2c1
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.
- LOPAC 00566#68
- 133762-78-4#2949
- 315-30-0#6392
- 17406762#27183
- 26664369#28276
- 24816098#31621
- 24815896#38281
- 3716147#39898
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- 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
- 63.83 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 150.138 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.71
- 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 · 24823121