Molecule card · MolClass #35720
17505166
17505166: 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
- 17505166Mitochondrial Fusion · compound_name
- MolClass ID
- 35720
- InChIKey
- YBIIERKBNVTUCB-UHFFFAOYSA-N
- Canonical SMILES
- CCCNC(=O)Cn1cnc(n1)[N+](=O)[O-]
- Standard InChI
- InChI=1S/C7H11N5O3/c1-2-3-8-6(13)4-11-5-9-7(10-11)12(14)15/h5H,2-4H2,1H3,(H,8,13)
- Stored Murcko scaffold
- n1cn[nH]c1
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 102.95 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 213.194 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 0.068
- 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 · 17505166