Molecule card · MolClass #36026
4245670
4245670: 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
- 4245670Mitochondrial Fusion · compound_name
- MolClass ID
- 36026
- InChIKey
- ODCBHLLZWBEKPP-UHFFFAOYSA-N
- Canonical SMILES
- COCc1c(nnn1c2nonc2(N))C(N)=O
- Standard InChI
- InChI=1S/C7H9N7O3/c1-16-2-3-4(6(9)15)10-13-14(3)7-5(8)11-17-12-7/h2H2,1H3,(H2,8,11)(H2,9,15)
- 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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 147.97 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 239.192 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- -1.041
- 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 · 4245670