Molecule card · MolClass #51640
14733183
14733183: 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
- 14733183Mitochondrial Fusion · compound_name
- MolClass ID
- 51640
- InChIKey
- FWXGCAPUMGLGOF-UHFFFAOYSA-N
- Canonical SMILES
- COC(=O)Cc1cn(c2ccccc12)c3ncc(cc3Cl)C(F)(F)F
- Standard InChI
- InChI=1S/C17H12ClF3N2O2/c1-25-15(24)6-10-9-23(14-5-3-2-4-12(10)14)16-13(18)7-11(8-22-16)17(19,20)21/h2-5,7-9H,6H2,1H3
- Stored Murcko scaffold
- n1ccccc1-n2ccc3ccccc32
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
- 0
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 5
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 44.12 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 368.738 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 4.771
- 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 · 14733183