Molecule card · MolClass #36705
859289
859289: 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
- 859289Mitochondrial Fusion · compound_name
- MolClass ID
- 36705
- InChIKey
- DISDAPNPKSJHEL-XVNBXDOJSA-N
- Canonical SMILES
- CN(C)C=Nc1nonc1(N)
- Standard InChI
- InChI=1S/C5H9N5O/c1-10(2)3-7-5-4(6)8-11-9-5/h3H,1-2H3,(H2,6,8)/b7-3+
- Stored Murcko scaffold
- n1oncc1
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.
- 22412667#26202
- 7974003#29286
- 14718843#31758
- CS(=O)(=O)NCCNC(=O)c1nonc1N#150931
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
- 80.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 155.158 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.772
- 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 · 859289