General Information of the Compound
| Compound ID |
CP0475043
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3-chloro-5-(2-(2,4-dichloro-5-methylphenylsulfonamido)-4-(ethylcarbamoyl)phenoxy)phenyl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H21Cl3N2O6S
|
||||||||||||||||||
| Molecular Weight |
571.866
|
||||||||||||||||||
| Canonical SMILES |
CCNC(=O)c1ccc(Oc2cc(Cl)cc(CC(O)=O)c2)c(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H21Cl3N2O6S/c1-3-28-24(32)15-4-5-21(35-17-8-14(9-23(30)31)7-16(25)11-17)20(10-15)29-36(33,34)22-6-13(2)18(26)12-19(22)27/h4-8,10-12,29H,3,9H2,1-2H3,(H,28,32)(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YCVNCIQWEODZQW-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