General Information of the Compound
| Compound ID |
CP0196819
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[5-(4-Ethyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-2-hydroxymethyl-benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18F3N3O3S
|
||||||||||||||||||
| Molecular Weight |
425.432
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc(cc1)-c1cc(nn1-c1ccc(c(CO)c1)S(N)(=O)=O)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18F3N3O3S/c1-2-12-3-5-13(6-4-12)16-10-18(19(20,21)22)24-25(16)15-7-8-17(29(23,27)28)14(9-15)11-26/h3-10,26H,2,11H2,1H3,(H2,23,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XGTUABCJBUFKQG-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