General Information of the Compound
| Compound ID |
CP0533873
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2,6-dichloropyridin-4-yl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methylpyridin-2-yl]methyl]urea
Show/Hide
|
||||||||||||||||||
| Formula |
C18H18Cl2N6O
|
||||||||||||||||||
| Molecular Weight |
405.289
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn(C)cc1-c1cnc(CNC(=O)Nc2cc(Cl)nc(Cl)c2)cc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18Cl2N6O/c1-10-4-13(21-8-14(10)15-9-26(3)25-11(15)2)7-22-18(27)23-12-5-16(19)24-17(20)6-12/h4-6,8-9H,7H2,1-3H3,(H2,22,23,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UVMBQPYBPGOJBF-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 | |||||||||||||||||||
| 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