General Information of the Compound
Compound ID |
CP0969020
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
2-(4-((2-chloro-4-(trifluoromethyl)phenoxy)methyl)benzamido)ethanesulfonic acid
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C17H15ClF3NO5S
|
||||||||||||||||||
Molecular Weight |
437.823
|
||||||||||||||||||
Canonical SMILES |
O=C(NCCS(=O)(=O)O)c1ccc(COc2ccc(C(F)(F)F)cc2Cl)cc1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C17H15ClF3NO5S/c18-14-9-13(17(19,20)21)5-6-15(14)27-10-11-1-3-12(4-2-11)16(23)22-7-8-28(24,25)26/h1-6,9H,7-8,10H2,(H,22,23)(H,24,25,26)
Show/Hide
|
||||||||||||||||||
InChIKey |
IQJAEAUVRZQGPT-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