General Information of the Compound
| Compound ID |
CP0487468
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl 4-methyl-2-[[4-(trifluoromethoxy)phenyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Show/Hide
|
||||||||||||||||||
| Formula |
C20H21F3N2O3S2
|
||||||||||||||||||
| Molecular Weight |
458.527
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)sc2CCCC(C)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21F3N2O3S2/c1-3-27-18(26)16-15-11(2)5-4-6-14(15)30-17(16)25-19(29)24-12-7-9-13(10-8-12)28-20(21,22)23/h7-11H,3-6H2,1-2H3,(H2,24,25,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KXLYMYRPYAWYSK-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01013, C-X-C chemokine receptor type 2
Protein ID: PT02059, C-X-C chemokine receptor type 4