Molecule card · MolClass #39071
14733105
14733105: 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
- 14733105Mitochondrial Fusion · compound_name
- MolClass ID
- 39071
- InChIKey
- WIPSICZXMVUYBY-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cc(O)nc(n1)n2nc(C)cc2(O)
- Standard InChI
- InChI=1S/C9H10N4O2/c1-5-3-7(14)11-9(10-5)13-8(15)4-6(2)12-13/h3-4,15H,1-2H3,(H,10,11,14)
- Stored Murcko scaffold
- n1cccnc1-n2nccc2
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
- 5
- 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
- 84.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 206.202 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.502
- 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 · 14733105