Molecule card · MolClass #39937
22413638
22413638: 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
- 22413638Mitochondrial Fusion · compound_name
- MolClass ID
- 39937
- InChIKey
- CUZZXRASKFRWMB-UHFFFAOYSA-N
- Canonical SMILES
- CCn2ncc(c2(C(=O)Nc1cc(C)on1))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C10H11N5O4/c1-3-14-9(7(5-11-14)15(17)18)10(16)12-8-4-6(2)19-13-8/h4-5H,3H2,1-2H3,(H,12,13,16)
- Stored Murcko scaffold
- n1occc1N[CH]c2ccn[nH]2
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
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 116.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 265.226 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.504
- 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 · 22413638