General Information of the Compound
| Compound ID |
CP0331907
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[5-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-2-sulfamoylphenyl]methyl propanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20F3N3O4S
|
||||||||||||||||||
| Molecular Weight |
467.469
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)OCc1cc(ccc1S(N)(=O)=O)-n1nc(cc1-c1ccc(C)cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20F3N3O4S/c1-3-20(28)31-12-15-10-16(8-9-18(15)32(25,29)30)27-17(11-19(26-27)21(22,23)24)14-6-4-13(2)5-7-14/h4-11H,3,12H2,1-2H3,(H2,25,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WKJHSEBIIBEYLU-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 | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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