General Information of the Compound
| Compound ID |
CP0451926
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[3-(2,6-dichlorophenoxy)-5-methylsulfonylindazol-1-yl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H14Cl2N2O5S
|
||||||||||||||||||
| Molecular Weight |
477.325
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1ccc2n(nc(Oc3c(Cl)cccc3Cl)c2c1)-c1ccc(cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H14Cl2N2O5S/c1-31(28,29)14-9-10-18-15(11-14)20(30-19-16(22)3-2-4-17(19)23)24-25(18)13-7-5-12(6-8-13)21(26)27/h2-11H,1H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FVZXPOMEZHOAJF-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
Protein ID: PT02663, Nuclear receptor ROR-gamma
Protein ID: PT01806, Retinoic acid receptor gamma