General Information of the Compound
| Compound ID |
CP0419061
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[2-tert-butyl-4-[(2,4-dichlorophenyl)sulfonylamino]-1H-indol-5-yl]oxy]-3-methoxyphenyl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26Cl2N2O6S
|
||||||||||||||||||
| Molecular Weight |
577.486
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(CC(O)=O)ccc1Oc1ccc2[nH]c(cc2c1NS(=O)(=O)c1ccc(Cl)cc1Cl)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26Cl2N2O6S/c1-27(2,3)24-14-17-19(30-24)7-9-21(37-20-8-5-15(12-25(32)33)11-22(20)36-4)26(17)31-38(34,35)23-10-6-16(28)13-18(23)29/h5-11,13-14,30-31H,12H2,1-4H3,(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VNRRJWVPTHYLKI-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: PT01054, Prostaglandin D2 receptor
Protein ID: PT01171, Prostaglandin D2 receptor 2