Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D04HGN
|
|||
| Former ID |
DNC009021
|
|||
| Drug Name |
HTS-00213
|
|||
| Synonyms |
HTS-00213; CHEMBL461781; AC1MDDFE; MolPort-002-900-007; ZINC1028479; BDBM50292742; MCULE-3257779074; 3-((2,6-dichlorophenoxy)methyl)-5-((4-(4-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-ylthio)methyl)-1,2,4-oxadiazole
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C19H12Cl2F3N5O2S
|
|||
| Canonical SMILES |
C1=CC(=C(C(=C1)Cl)OCC2=NOC(=N2)CSC3=NN=CN3C4=CC=C(C=C4)C(F)(F)F)Cl
|
|||
| InChI |
1S/C19H12Cl2F3N5O2S/c20-13-2-1-3-14(21)17(13)30-8-15-26-16(31-28-15)9-32-18-27-25-10-29(18)12-6-4-11(5-7-12)19(22,23)24/h1-7,10H,8-9H2
|
|||
| InChIKey |
UUZRVUXGULNUHU-UHFFFAOYSA-N
|
|||
| PubChem Compound ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Computational studies of epidermal growth factor receptor: docking reliability, three-dimensional quantitative structure-activity relationship anal... J Med Chem. 2009 Feb 26;52(4):964-75. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.