Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LCQ9P2
|
|||
| Ligand Name |
(3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
|
|||
| Synonyms |
CHEMBL4750568; (3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; R6V; BDBM50557387
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C28H32N8
|
|||
| Canonical SMILES |
C1CCC(C1)C(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC(=N3)NC5=CC=C(C=C5)C6CCNCC6
|
|||
| InChI |
1S/C28H32N8/c29-13-9-25(21-3-1-2-4-21)36-18-22(17-32-36)26-24-12-16-31-27(24)35-28(34-26)33-23-7-5-19(6-8-23)20-10-14-30-15-11-20/h5-8,12,16-18,20-21,25,30H,1-4,9-11,14-15H2,(H2,31,33,34,35)/t25-/m1/s1
|
|||
| InChIKey |
RGIJZWRVCBSGJV-RUZDIDTESA-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.