Molecule card · MolClass #38235
22403433
22403433: 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
- 22403433Mitochondrial Fusion · compound_name
- MolClass ID
- 38235
- InChIKey
- JVZFFWGDNCFCIS-UKTHLTGXSA-N
- Canonical SMILES
- Cc1ccc(cc1)C(=O)NN=C(C)Cn2nnc(n2)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C12H13N7O3/c1-8-3-5-10(6-4-8)11(20)14-13-9(2)7-18-16-12(15-17-18)19(21)22/h3-6H,7H2,1-2H3,(H,14,20)/b13-9+
- Stored Murcko scaffold
- n1nn(nc1)CC=NN[CH]c2ccccc2
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
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 128.2 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 303.277 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.749
- 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 · 22403433