Molecule card · MolClass #50758
17432956
17432956: 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
- 17432956Mitochondrial Fusion · compound_name
- MolClass ID
- 50758
- InChIKey
- DYEVIUBAPCNBQZ-WQLSENKSSA-N
- Canonical SMILES
- CC1=NN(C(=O)C1(=CN(C)C))c2ccc(cc2)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C13H14N4O3/c1-9-12(8-15(2)3)13(18)16(14-9)10-4-6-11(7-5-10)17(19)20/h4-8H,1-3H3/b12-8-
- Stored Murcko scaffold
- n1cccn1-c2ccccc2
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.
View all molecules with this scaffold →Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 3
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 79.05 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 274.276 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.276
- 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 · 17432956