Molecule card · MolClass #37930
14741928
14741928: 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
- 14741928Mitochondrial Fusion · compound_name
- MolClass ID
- 37930
- InChIKey
- JWIHOCPXHZAPKS-UHFFFAOYSA-N
- Canonical SMILES
- Cn2cnc(c2(Nc1cccc(O)c1))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C10H10N4O3/c1-13-6-11-9(14(16)17)10(13)12-7-3-2-4-8(15)5-7/h2-6,12,15H,1H3
- Stored Murcko scaffold
- n1c[nH]c(c1)Nc2ccccc2
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.
- 14741923#31550
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
- 93.22 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 234.212 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.797
- 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 · 14741928