Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L6GNI8
|
|||
| Ligand Name |
Unii-75658jdg29
|
|||
| Synonyms |
PF-06843195; UNII-75658JDG29; 75658JDG29; 1-Pyrrolidinecarboxylic acid, 3-((2'-amino-5-fluoro-2-(4-morpholinyl)(4,5'-bipyrimidin)-6-yl)amino)-3-(hydroxymethyl)-, 2,2-difluoroethyl ester, (3S)-; 2,2-Difluoroethyl (3S)-3-((2'-amino-5-fluoro-2-(4-morpholinyl)(4,5'-bipyrimidin)-6-yl)amino)-3-(hydroxymethyl)-1-pyrrolidinecarboxylate; 2,2-Difluoroethyl (3S)-3-((2'-amino-5-fluoro-2-(morpholin-4-yl)-4,5'-bipyrimidin-6-yl)amino)-3-(hydroxymethyl)pyrrolidine-1-carboxylate; 2067281-51-8; CHEMBL4756555; SCHEMBL18383729; US9758538, Example 2; BDBM340314; HY-131972; CS-0145646; (Scheme A): Preparation of 2,2-difluoroethyl (3S)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)-4,5'-bipyrimidin-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate; 2,2-difluoroethyl (3S)-3-{[2'-amino-5-fluoro-2-(morpholin-4-yl)[4,5'-bipyrimidin]-6-yl]amino}-3-(hydroxymethyl)pyrrolidine-1-carboxylate; VXY
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C20H25F3N8O4
|
|||
| Canonical SMILES |
C1CN(CC1(CO)NC2=NC(=NC(=C2F)C3=CN=C(N=C3)N)N4CCOCC4)C(=O)OCC(F)F
|
|||
| InChI |
1S/C20H25F3N8O4/c21-13(22)9-35-19(33)31-2-1-20(10-31,11-32)29-16-14(23)15(12-7-25-17(24)26-8-12)27-18(28-16)30-3-5-34-6-4-30/h7-8,13,32H,1-6,9-11H2,(H2,24,25,26)(H,27,28,29)/t20-/m0/s1
|
|||
| InChIKey |
RTOREZYNLPQUKM-FQEVSTJZSA-N
|
|||
| PubChem Compound ID | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.