Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L3SL0P
|
|||
| Ligand Name |
4-(4-{[2-{[(3s)-1-Acetylpyrrolidin-3-Yl]amino}-9-(Propan-2-Yl)-9h-Purin-6-Yl]amino}phenyl)-1-Methylpiperazin-1-Ium
|
|||
| Synonyms |
CHEMBL4206604; 4-(4-{[2-{[(3s)-1-Acetylpyrrolidin-3-Yl]amino}-9-(Propan-2-Yl)-9h-Purin-6-Yl]amino}phenyl)-1-Methylpiperazin-1-Ium; 8BM; BDBM50450890
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C25H35N9O
|
|||
| Canonical SMILES |
CC(C)N1C=NC2=C(N=C(N=C21)NC3CCN(C3)C(=O)C)NC4=CC=C(C=C4)N5CCN(CC5)C
|
|||
| InChI |
1S/C25H35N9O/c1-17(2)34-16-26-22-23(27-19-5-7-21(8-6-19)32-13-11-31(4)12-14-32)29-25(30-24(22)34)28-20-9-10-33(15-20)18(3)35/h5-8,16-17,20H,9-15H2,1-4H3,(H2,27,28,29,30)/t20-/m0/s1
|
|||
| InChIKey |
ACTNABQUCQIOKX-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.