Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L8DY1J
|
|||
| Ligand Name |
3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline
|
|||
| Synonyms |
CHEMBL478464; 3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline; SCHEMBL4893722; SCHEMBL14066354; BDBM50263548; DB07486; Q27096706; (E)-3-(4-(3-aminophenylthio)-2,3-bis(trifluoromethyl)phenyl)-1-morpholinoprop-2-en-1-one; BQM
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C21H18F6N2O2S
|
|||
| Canonical SMILES |
C1COCCN1C(=O)C=CC2=C(C(=C(C=C2)SC3=CC=CC(=C3)N)C(F)(F)F)C(F)(F)F
|
|||
| InChI |
1S/C21H18F6N2O2S/c22-20(23,24)18-13(5-7-17(30)29-8-10-31-11-9-29)4-6-16(19(18)21(25,26)27)32-15-3-1-2-14(28)12-15/h1-7,12H,8-11,28H2/b7-5+
|
|||
| InChIKey |
KLSZVPNVFKKIRD-FNORWQNLSA-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.