Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L8S3EO
|
|||
| Ligand Name |
2-[2-[[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-(2-cyanopropan-2-yl)phenyl]methoxy]phenyl]ethanoic acid
|
|||
| Synonyms |
CHEMBL4636415; 2-[2-[[3-[(3~{S})-3-azanyl-2,3-dihydro-1-benzofuran-5-yl]-5-(2-cyanopropan-2-yl)phenyl]methoxy]phenyl]ethanoic acid; BDBM50542724; NW5
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C27H26N2O4
|
|||
| Canonical SMILES |
CC(C)(C#N)C1=CC(=CC(=C1)C2=CC3=C(C=C2)OCC3N)COC4=CC=CC=C4CC(=O)O
|
|||
| InChI |
1S/C27H26N2O4/c1-27(2,16-28)21-10-17(14-32-24-6-4-3-5-19(24)13-26(30)31)9-20(11-21)18-7-8-25-22(12-18)23(29)15-33-25/h3-12,23H,13-15,29H2,1-2H3,(H,30,31)/t23-/m1/s1
|
|||
| InChIKey |
SRKDCGUSWAONMJ-HSZRJFAPSA-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.