General Information of the Compound
| Compound ID |
CP0420838
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl)- 3-(5- (1- methoxy-2- methylpropan-2- yl)isoxazol-3-yl) urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27N5O6
|
||||||||||||||||||
| Molecular Weight |
493.52
|
||||||||||||||||||
| Canonical SMILES |
COCC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3ncnc4cc(OC)c(OC)cc34)c2)no1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27N5O6/c1-25(2,13-32-3)21-12-22(30-36-21)29-24(31)28-15-7-6-8-16(9-15)35-23-17-10-19(33-4)20(34-5)11-18(17)26-14-27-23/h6-12,14H,13H2,1-5H3,(H2,28,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TXDAURYRIAGJTB-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