Molecule card · MolClass #42491
24794499
24794499: 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
- 24794499Mitochondrial Fusion · compound_name
- MolClass ID
- 42491
- InChIKey
- WSWHIBIEARAKSE-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(nn2(CC(=O)Nc1cc(F)ccc1(F)))[N+](=O)[O-]
- Standard InChI
- InChI=1S/C12H10F2N4O3/c1-7-4-11(18(20)21)16-17(7)6-12(19)15-10-5-8(13)2-3-9(10)14/h2-5H,6H2,1H3,(H,15,19)
- Stored Murcko scaffold
- n1cccn1C[CH]Nc2ccccc2
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
- 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
- 90.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 296.23 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.11
- 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 · 24794499