Molecule card · MolClass #48670
24787983
24787983: 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
- 24787983Mitochondrial Fusion · compound_name
- MolClass ID
- 48670
- InChIKey
- HSDKIVYGSYGNGY-REZTVBANSA-N
- Canonical SMILES
- O=C(NN=Cc1cccnc1)c3ccc(Cn2cc(cn2)[N+](=O)[O-])o3
- Standard InChI
- InChI=1S/C15H12N6O4/c22-15(19-17-7-11-2-1-5-16-6-11)14-4-3-13(25-14)10-20-9-12(8-18-20)21(23)24/h1-9H,10H2,(H,19,22)/b17-7+
- Stored Murcko scaffold
- n1cccc(c1)C=NN[CH]c2oc(cc2)Cn3nccc3
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.
No other molecules currently have this stored scaffold.
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
- 128.45 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 340.294 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.954
- 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 · 24787983