Molecule card · MolClass #15176
1783491
1783491: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
2 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24808570Mitochondrial Fusion · compound_name
- MolClass ID
- 15176
- InChIKey
- WUBVJSYRHXOQIJ-UHFFFAOYSA-N
- Canonical SMILES
- CN2C(=O)C(C(c1ccccc12)n3ccnc3)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C13H10N4O3/c1-15-10-5-3-2-4-9(10)11(16-7-6-14-8-16)12(13(15)18)17(19)20/h2-8H,1H3
- Stored Murcko scaffold
- n1ccn(c1)C2=C[CH]Nc3ccccc32
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
- 2
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.03 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 270.244 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.32
- 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.
Auto-fluorescence Prediction
Dataset #13 · 1783491
Mitochondrial Fusion
Dataset #19 · 24808570