General Information of the Compound
| Compound ID |
CP0436004
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(1-tert- butyl-1H- pyrazol-4-yl)-3- (3-(6,7- dimethoxy- quinazolin- 4- yloxy)phenyl) urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26N6O4
|
||||||||||||||||||
| Molecular Weight |
462.51
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cnn(c4)C(C)(C)C)c3)c2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26N6O4/c1-24(2,3)30-13-16(12-27-30)29-23(31)28-15-7-6-8-17(9-15)34-22-18-10-20(32-4)21(33-5)11-19(18)25-14-26-22/h6-14H,1-5H3,(H2,28,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IFXAOWUQOMSUJO-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