Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L0Z9SA
|
|||
| Ligand Name |
(2~{R})-2-[5-[3-chloranyl-2-methyl-5-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid
|
|||
| Synonyms |
CHEMBL4537357; (2~{R})-2-[5-[3-chloranyl-2-methyl-5-(4-methylpiperazin-1-yl)-4-oxidanyl-phenyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-yl]oxy-3-phenyl-propanoic acid; BDBM50519040; JL5
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C29H31ClN4O4S
|
|||
| Canonical SMILES |
CCC1=C(C2=C(N=CN=C2S1)OC(CC3=CC=CC=C3)C(=O)O)C4=CC(=C(C(=C4C)Cl)O)N5CCN(CC5)C
|
|||
| InChI |
1S/C29H31ClN4O4S/c1-4-22-23(19-15-20(26(35)25(30)17(19)2)34-12-10-33(3)11-13-34)24-27(31-16-32-28(24)39-22)38-21(29(36)37)14-18-8-6-5-7-9-18/h5-9,15-16,21,35H,4,10-14H2,1-3H3,(H,36,37)/t21-/m1/s1
|
|||
| InChIKey |
OZKTZQZOQQOTJP-OAQYLSRUSA-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.