Ligand Information
Ligand General Information | Top | |||
---|---|---|---|---|
Ligand ID |
LGK89I
|
|||
Ligand Name |
tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1H-pyrazol-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate
|
|||
Synonyms |
tert-butyl 4-[(4-{1-[3-(cyanomethyl)-1-(ethylsulfonyl)azetidin-3-yl]-1H-pyrazol-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]benzoate; SCHEMBL22939192; U8P
Click to Show/Hide
|
|||
Structure |
Download2D MOL |
|||
Formula |
C27H30N8O4S
|
|||
Canonical SMILES |
CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC(=N3)NC5=CC=C(C=C5)C(=O)OC(C)(C)C
|
|||
InChI |
1S/C27H30N8O4S/c1-5-40(37,38)34-16-27(17-34,11-12-28)35-15-19(14-30-35)22-21-10-13-29-23(21)33-25(32-22)31-20-8-6-18(7-9-20)24(36)39-26(2,3)4/h6-10,13-15H,5,11,16-17H2,1-4H3,(H2,29,31,32,33)
|
|||
InChIKey |
XPNMPGAYHLKXMY-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.