General Information of the Compound
| Compound ID |
CP0416085
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-(1,1- difluoroethyl) isoxazol-5- yl)-3-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl) urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H19F2N5O5
|
||||||||||||||||||
| Molecular Weight |
471.42
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(no4)C(C)(F)F)c3)c2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H19F2N5O5/c1-22(23,24)18-10-19(34-29-18)28-21(30)27-12-5-4-6-13(7-12)33-20-14-8-16(31-2)17(32-3)9-15(14)25-11-26-20/h4-11H,1-3H3,(H2,27,28,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JBERXKFWRMHYGJ-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