Molecule card · MolClass #37324
24782711
24782711: 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
- 24782711Mitochondrial Fusion · compound_name
- MolClass ID
- 37324
- InChIKey
- OQCZJUXQKCXTJG-MKMNVTDBSA-N
- Canonical SMILES
- COc2ccccc2(C=NNC(=O)Cn1cnc(n1)[N+](=O)[O-])
- Standard InChI
- InChI=1S/C12H12N6O4/c1-22-10-5-3-2-4-9(10)6-14-15-11(19)7-17-8-13-12(16-17)18(20)21/h2-6,8H,7H2,1H3,(H,15,19)/b14-6+
- Stored Murcko scaffold
- n1cnn(c1)C[CH]NN=Cc2ccccc2
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
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 124.54 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 304.262 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.769
- 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 · 24782711