Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BA56HI
|
|||
| Binder Name |
3-[[4-[[5-[(3,4-Dimethoxyphenyl)sulfanylmethyl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]sulfonyl-[3-(trimethylazaniumyl)propyl]amino]propyl-trimethylazanium;2,2,2-trifluoroacetate
|
|||
| Synonyms |
CHEMBL4078375; BDBM50236995
Click to Show/Hide
|
|||
| Binder Type |
Small molecular drug
|
|||
| Structure |
 |
Download2D MOL
|
||
| Formula |
C41H50F9N5O8S3
|
|||
| Canonical SMILES |
C[N+](C)(C)CCCN(CCC[N+](C)(C)C)S(=O)(=O)C1=CC(=C(C(=C1)F)CSC2=NC=C(N2C3=CC=C(C=C3)F)CSC4=CC(=C(C=C4)OC)OC)F.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]
|
|||
| InChI |
1S/C37H50F3N5O4S3.2C2HF3O2/c1-44(2,3)19-9-17-42(18-10-20-45(4,5)6)52(46,47)31-22-33(39)32(34(40)23-31)26-51-37-41-24-29(43(37)28-13-11-27(38)12-14-28)25-50-30-15-16-35(48-7)36(21-30)49-8;2*3-2(4,5)1(6)7/h11-16,21-24H,9-10,17-20,25-26H2,1-8H3;2*(H,6,7)/q+2;;/p-2
|
|||
| InChIKey |
IWXUFFLJNSEMGZ-UHFFFAOYSA-L
|
|||
| 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.