Molecule card · MolClass #37709
24822968
24822968: 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
- 24822968Mitochondrial Fusion · compound_name
- MolClass ID
- 37709
- InChIKey
- OXXKTGRIPAUKMA-UHFFFAOYSA-N
- Canonical SMILES
- Nc1nc(no1)c2nonc2(N)
- Standard InChI
- InChI=1S/C4H4N6O2/c5-2-1(8-12-9-2)3-7-4(6)11-10-3/h(H2,5,9)(H2,6,7,10)
- Stored Murcko scaffold
- n1onc(c1)-c2nocn2
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.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 129.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 168.114 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.234
- 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 · 24822968