Molecule card · MolClass #43474
7973714
7973714: 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
- 7973714Mitochondrial Fusion · compound_name
- MolClass ID
- 43474
- InChIKey
- LNKXBAAURKRSQC-UHFFFAOYSA-N
- Canonical SMILES
- COc1cc(O)c(NC(C)=O)c2nonc12
- Standard InChI
- InChI=1S/C9H9N3O4/c1-4(13)10-7-5(14)3-6(15-2)8-9(7)12-16-11-8/h3,14H,1-2H3,(H,10,13)
- Stored Murcko scaffold
- n1onc2ccccc12
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.
- 597363#11144
- 379416#11163
- 1921467#15407
- 856173#27842
- 26669387#28514
- 24811430#41515
- 864791#41689
- 865153#41936
- Nc1ccc2nonc2c1N#154539
- NC(=S)c1ccc2nonc2c1#154606
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
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 97.48 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 223.186 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.864
- 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 · 7973714