General Information of the Compound
| Compound ID |
CP0533834
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-ethoxy-6-methylpyridin-4-yl)-3-[[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]methyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22F3N7O2
|
||||||||||||||||||
| Molecular Weight |
449.437
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cc(NC(=O)NCc2cc(C)c(nn2)-c2cn(C)nc2C(F)(F)F)cc(C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22F3N7O2/c1-5-32-16-8-13(7-12(3)25-16)26-19(31)24-9-14-6-11(2)17(28-27-14)15-10-30(4)29-18(15)20(21,22)23/h6-8,10H,5,9H2,1-4H3,(H2,24,25,26,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VGPGNWPIKCWAKB-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: PT01837, Sphingosine 1-phosphate receptor 2