Molecule card · MolClass #42128
17386600
17386600: 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
- 17386600Mitochondrial Fusion · compound_name
- MolClass ID
- 42128
- InChIKey
- NQMKUVIACIXSAG-UHFFFAOYSA-N
- Canonical SMILES
- CCn2ncc(c2(C(=O)N1CCCC1))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C10H14N4O3/c1-2-13-9(8(7-11-13)14(16)17)10(15)12-5-3-4-6-12/h7H,2-6H2,1H3
- Stored Murcko scaffold
- n1ccc([CH]N2CCCC2)[nH]1
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
- 3
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 81.27 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 238.244 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.303
- 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 · 17386600