General Information of the Compound
| Compound ID |
CP0363925
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-[6-[(2-hydroxy-2-methylpropyl)amino]pyrimidin-4-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
Show/Hide
|
||||||||||||||||||
| Formula |
C22H22F3N5O3
|
||||||||||||||||||
| Molecular Weight |
461.444
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(O)CNc1cc(Oc2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)cc2)ncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22F3N5O3/c1-21(2,32)12-26-18-11-19(28-13-27-18)33-17-8-6-15(7-9-17)29-20(31)30-16-5-3-4-14(10-16)22(23,24)25/h3-11,13,32H,12H2,1-2H3,(H,26,27,28)(H2,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DXBSLZLNIUZIQJ-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