Ligand Information
Ligand General Information | Top | |||
---|---|---|---|---|
Ligand ID |
L9FLI5
|
|||
Ligand Name |
[3-(4-{2-[3,5-difluoro-4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)-1-(ethanesulfonyl)azetidin-3-yl]acetonitrile
|
|||
Synonyms |
[3-(4-{2-[3,5-difluoro-4-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)-1-(ethanesulfonyl)azetidin-3-yl]acetonitrile; 4LY
Click to Show/Hide
|
|||
Structure |
Download2D MOL |
|||
Formula |
C28H29F2N9O2S
|
|||
Canonical SMILES |
CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC(=N3)NC5=CC(=C(C(=C5)F)C6=CCN(CC6)C)F
|
|||
InChI |
1S/C28H29F2N9O2S/c1-3-42(40,41)38-16-28(17-38,7-8-31)39-15-19(14-33-39)25-21-4-9-32-26(21)36-27(35-25)34-20-12-22(29)24(23(30)13-20)18-5-10-37(2)11-6-18/h4-5,9,12-15H,3,6-7,10-11,16-17H2,1-2H3,(H2,32,34,35,36)
|
|||
InChIKey |
MXGPFEUZRMBECL-UHFFFAOYSA-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.