Molecule card · MolClass #36219
22405418
22405418: 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
- 22405418Mitochondrial Fusion · compound_name
- MolClass ID
- 36219
- InChIKey
- BCQZTRSEJXZJKY-UHFFFAOYSA-N
- Canonical SMILES
- Cc2nn(C)cc2(NC(=O)c1nn(C)cc1[N+](=O)[O-])
- Standard InChI
- InChI=1S/C10H12N6O3/c1-6-7(4-14(2)12-6)11-10(17)9-8(16(18)19)5-15(3)13-9/h4-5H,1-3H3,(H,11,17)
- Stored Murcko scaffold
- n1cc(c[nH]1)N[CH]c2n[nH]cc2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 107.88 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 264.241 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.784
- 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 · 22405418