Molecule card · MolClass #48432
17411354
17411354: 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
- 17411354Mitochondrial Fusion · compound_name
- MolClass ID
- 48432
- InChIKey
- CJOXKQXGZFZFKA-UHFFFAOYSA-N
- Canonical SMILES
- O=C1C=C(NC(=O)N1C2CCCCC2)C(F)(F)F
- Standard InChI
- InChI=1S/C11H13F3N2O2/c12-11(13,14)8-6-9(17)16(10(18)15-8)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,15,18)
- Stored Murcko scaffold
- C1=CN[CH]N([CH]1)C2CCCCC2
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
- 4
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 2
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 49.41 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 262.229 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 2.03
- 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 · 17411354