Molecule card · MolClass #36862
17407354
17407354: 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
- 17407354Mitochondrial Fusion · compound_name
- MolClass ID
- 36862
- InChIKey
- YYJWFIDZCNSTJL-WLRTZDKTSA-N
- Canonical SMILES
- O=C(Cn1cnc(n1)[N+](=O)[O-])NN=Cc2ccccc2(O)
- Standard InChI
- InChI=1S/C11H10N6O4/c18-9-4-2-1-3-8(9)5-13-14-10(19)6-16-7-12-11(15-16)17(20)21/h1-5,7,18H,6H2,(H,14,19)/b13-5+
- 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
- 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
- 290.235 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.448
- 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 · 17407354