Molecule card · MolClass #37357
24781351
24781351: 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
- 24781351Mitochondrial Fusion · compound_name
- MolClass ID
- 37357
- InChIKey
- MBVOWKPTYXIWFT-RIYZIHGNSA-N
- Canonical SMILES
- CC(Cn1cnc(n1)[N+](=O)[O-])=NNC(=O)c2ccccc2(O)
- Standard InChI
- InChI=1S/C12H12N6O4/c1-8(6-17-7-13-12(16-17)18(21)22)14-15-11(20)9-4-2-3-5-10(9)19/h2-5,7,19H,6H2,1H3,(H,15,20)/b14-8+
- Stored Murcko scaffold
- n1cnn(c1)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
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 135.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.262 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.49
- 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 · 24781351