General Information of the Compound
| Compound ID |
CP0432212
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[3-(2,6-dichlorophenyl)sulfanylindazol-1-yl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H12Cl2N2O2S
|
||||||||||||||||||
| Molecular Weight |
415.301
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(cc1)-n1nc(Sc2c(Cl)cccc2Cl)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H12Cl2N2O2S/c21-15-5-3-6-16(22)18(15)27-19-14-4-1-2-7-17(14)24(23-19)13-10-8-12(9-11-13)20(25)26/h1-11H,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DURCFIMJGSOKDP-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