Molecule card · MolClass #39243
14728186
14728186: 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
- 14728186Mitochondrial Fusion · compound_name
- MolClass ID
- 39243
- InChIKey
- OGZIVWOYXOYYON-UHFFFAOYSA-N
- Canonical SMILES
- COc2nn(CC(=O)N1N=C(CC1(O)(C(F)F))C(F)F)cc2[N+](=O)[O-]
- Standard InChI
- InChI=1S/C11H11F4N5O5/c1-25-9-6(20(23)24)3-18(17-9)4-7(21)19-11(22,10(14)15)2-5(16-19)8(12)13/h3,8,10,22H,2,4H2,1H3
- Stored Murcko scaffold
- n1cccn1C[CH]N2N=CCC2
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.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 5
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 7
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 123.09 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 369.23 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.948
- 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 · 14728186