General Information of the Compound
| Compound ID |
CP0447102
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[4-[(2,4-dichlorophenyl)sulfonylamino]-1-methylindol-5-yl]oxy-3-methoxyphenyl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H20Cl2N2O6S
|
||||||||||||||||||
| Molecular Weight |
535.405
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(CC(O)=O)ccc1Oc1ccc2n(C)ccc2c1NS(=O)(=O)c1ccc(Cl)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H20Cl2N2O6S/c1-28-10-9-16-18(28)5-7-20(34-19-6-3-14(12-23(29)30)11-21(19)33-2)24(16)27-35(31,32)22-8-4-15(25)13-17(22)26/h3-11,13,27H,12H2,1-2H3,(H,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LTUVCSMNZGLAPS-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