General Information of the Compound
| Compound ID |
CP0520607
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(3-tert- butyl-1- isopropyl-1H- pyrazol-5-yl)- 3-(3- (6,7- dimethoxy- quinazolin- 4-yloxy) phenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H32N6O4
|
||||||||||||||||||
| Molecular Weight |
504.591
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4C(C)C)C(C)(C)C)c3)c2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H32N6O4/c1-16(2)33-24(14-23(32-33)27(3,4)5)31-26(34)30-17-9-8-10-18(11-17)37-25-19-12-21(35-6)22(36-7)13-20(19)28-15-29-25/h8-16H,1-7H3,(H2,30,31,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YIVXZTLMJYYLEW-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