General Information of the Compound
| Compound ID |
CP0488667
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]indazol-3-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18ClN3O5
|
||||||||||||||||||
| Molecular Weight |
403.822
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OC)c(NC(=O)Cn2nc(CC(O)=O)c3ccccc23)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18ClN3O5/c1-27-16-9-17(28-2)14(7-12(16)20)21-18(24)10-23-15-6-4-3-5-11(15)13(22-23)8-19(25)26/h3-7,9H,8,10H2,1-2H3,(H,21,24)(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UMPCYMRVLYIKGB-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