General Information of the Compound
| Compound ID |
CP0549925
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]indol-1-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19ClN2O5
|
||||||||||||||||||
| Molecular Weight |
402.834
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OC)c(NC(=O)Cc2cn(CC(O)=O)c3ccccc23)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19ClN2O5/c1-27-17-9-18(28-2)15(8-14(17)21)22-19(24)7-12-10-23(11-20(25)26)16-6-4-3-5-13(12)16/h3-6,8-10H,7,11H2,1-2H3,(H,22,24)(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BZOCUYKWYVYJRM-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 | |||||||||||||||||||
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: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01837, Sphingosine 1-phosphate receptor 2