General Information of the Compound
| Compound ID |
CP0511658
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-(6-(3-Amino-2-oxo-1,2-dihydroquinoxalin-5-yloxy)pyrimidin-4-yl)-5-(trifluoromethyl)phenyl)-3-tert-butylurea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H22F3N7O3
|
||||||||||||||||||
| Molecular Weight |
513.48
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)NC(=O)Nc1cc(ccc1-c1cc(Oc2cccc3[nH]c(=O)c(N)nc23)ncn1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22F3N7O3/c1-23(2,3)34-22(36)32-16-9-12(24(25,26)27)7-8-13(16)15-10-18(30-11-29-15)37-17-6-4-5-14-19(17)33-20(28)21(35)31-14/h4-11H,1-3H3,(H2,28,33)(H,31,35)(H2,32,34,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JISXMAUKSAFECY-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