Molecule card · MolClass #44015
24821302
24821302: 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
- 24821302Mitochondrial Fusion · compound_name
- MolClass ID
- 44015
- InChIKey
- WPISVEXGLGPXSR-UHFFFAOYSA-N
- Canonical SMILES
- CC(=O)c3c(C)n(O)c2ccc1c(no[n+]1([O-]))c23
- Standard InChI
- InChI=1S/C11H9N3O4/c1-5-9(6(2)15)10-7(13(5)16)3-4-8-11(10)12-18-14(8)17/h3-4,16H,1-2H3
- Stored Murcko scaffold
- n1o[nH+]c2ccc3[nH]ccc3c12
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
- 1
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 1
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 95.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 247.207 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.881
- 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 · 24821302