Molecule card · MolClass #47880
4241892
4241892: 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
- 4241892Mitochondrial Fusion · compound_name
- MolClass ID
- 47880
- InChIKey
- ZSBLVYQWWDSOFT-UHFFFAOYSA-N
- Canonical SMILES
- Cc2cc(nn2(CC(=O)Nc1cccnc1))C(F)(F)F
- Standard InChI
- InChI=1S/C12H11F3N4O/c1-8-5-10(12(13,14)15)18-19(8)7-11(20)17-9-3-2-4-16-6-9/h2-6H,7H2,1H3,(H,17,20)
- Stored Murcko scaffold
- n1cccc(c1)N[CH]Cn2nccc2
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
- 4
- 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
- 59.81 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 284.238 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.199
- 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 · 4241892