Molecule card · MolClass #39349
24784351
24784351: 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
- 24784351Mitochondrial Fusion · compound_name
- MolClass ID
- 39349
- InChIKey
- NYHSVIQOOWQYNS-UHFFFAOYSA-N
- Canonical SMILES
- Cc1c(cnn1(C))c2cc(no2)C(=O)O
- Standard InChI
- InChI=1S/C9H9N3O3/c1-5-6(4-10-12(5)2)8-3-7(9(13)14)11-15-8/h3-4H,1-2H3,(H,13,14)
- Stored Murcko scaffold
- n1oc(cc1)-c2cn[nH]c2
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.
- 24788641#27561
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
- 81.15 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 207.186 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.959
- 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 · 24784351