General Information of the Compound
| Compound ID |
CP0396135
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-chloro-6-propan-2-yloxypyridin-4-yl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridin-6-yl)amino]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H26ClN7O2
|
||||||||||||||||||
| Molecular Weight |
431.928
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1cc(NC(=O)NNc2cc(C(C)C)c3c(C)nn(C)c3n2)cc(Cl)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H26ClN7O2/c1-10(2)14-9-16(24-19-18(14)12(5)27-28(19)6)25-26-20(29)22-13-7-15(21)23-17(8-13)30-11(3)4/h7-11H,1-6H3,(H,24,25)(H2,22,23,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KBKZECSBWVJORL-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: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01837, Sphingosine 1-phosphate receptor 2
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3