Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L0Z5IU
|
|||
| Ligand Name |
(3~{a}~{R},7~{a}~{S})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one
|
|||
| Synonyms |
CHEMBL4078222; (3~{a}~{R},7~{a}~{S})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one; SCHEMBL21105719; BDBM50246762; 6QZ
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C25H36N6O2
|
|||
| Canonical SMILES |
CN1C2CCN(CC2CC1=O)C3CCC(CC3)NC4=NC=NC5=C4C(=CN5)C6CCOCC6
|
|||
| InChI |
1S/C25H36N6O2/c1-30-21-6-9-31(14-17(21)12-22(30)32)19-4-2-18(3-5-19)29-25-23-20(16-7-10-33-11-8-16)13-26-24(23)27-15-28-25/h13,15-19,21H,2-12,14H2,1H3,(H2,26,27,28,29)/t17-,18?,19?,21+/m1/s1
|
|||
| InChIKey |
MLNKSPKBBXWPSG-HZGZPEGRSA-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.