Molecule card · MolClass #42658
22402565
22402565: 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
- 22402565Mitochondrial Fusion · compound_name
- MolClass ID
- 42658
- InChIKey
- CLAZLRKBIOOZAV-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(nn2(CC(=O)Nc1cc(ccc1(F))[N+](=O)[O-]))C(F)F
- Standard InChI
- InChI=1S/C13H11F3N4O3/c1-7-4-11(13(15)16)18-19(7)6-12(21)17-10-5-8(20(22)23)2-3-9(10)14/h2-5,13H,6H2,1H3,(H,17,21)
- 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
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 90.06 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 328.247 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.182
- 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 · 22402565