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Structure
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| Relationships |
Total Number of functionally related protein(s) :
82
Total Number of Articles : 83
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| PubChem |
54684141
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| Molecular Formula |
C12H9F3N2O2 |
| SMILES |
C/C(=C(\C#N)/C(=O)NC1=CC=C(C=C1)C(F)(F)F)/O |
| InChI |
InChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7- |
| synonyms |
- Teriflunomide
- 163451-81-8
- 108605-62-5
- Aubagio
- Flucyamide
- A77 1726
- HMR1726
- (Z)-2-Cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)but-2-enamide
- HMR 1726
- HMR-1726
- SU 20
- A 771726
- A-771726
- teriflunomida
- teriflunomidum
- A 77-1726
- CHEBI:68540
- A771726
- UNII-1C058IKG3B
- 1C058IKG3B
- 2-cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)but-2-enamide
- (E/Z)-Teriflunomide
- (Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
- (Z)-2-cyano-alpha,alpha,alpha-trifluoro-3-hydroxy-p-crotonotoluidide
- 2-Butenamide, 2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]-, (2Z)-
- N-(4-Trifluoromethylphenyl)-2-cyano-2-hydroxycrotonamide
- 2-hydroxyethylidene-cyanoacetic acid-4-trifluoromethyl anilide
- A 1726
- (2z)-2-Cyano-3-Hydroxy-N-[4-(Trifluoromethyl)phenyl]but-2-Enamide
- 2-Butenamide, 2-cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)-
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| Properties |
| Property |
Value |
| MW |
270.21 g/mol |
| HBD |
2 |
| HBA |
6 |
| Rotatable Bond Count |
2 |
| Exact Mass |
270.06161202 g/mol |
| Monoisotopic Mass |
270.06161202 g/mol |
| Heavy Atom Count |
19 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
426 |
| xlogp |
3.3 |
| Topological Polar Surface Area |
73.1 |
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