General Information of the Compound
| Compound ID |
CP0421069
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(5-tert-butyl-2-cyclopentylpyrazol-3-yl)-3-[3-fluoro-4-(1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)phenyl]urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27FN8O2
|
||||||||||||||||||
| Molecular Weight |
478.532
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)c(F)c2)n(n1)C1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27FN8O2/c1-24(2,3)19-11-20(33(32-19)15-6-4-5-7-15)30-23(34)29-14-8-9-18(17(25)10-14)35-22-16-12-28-31-21(16)26-13-27-22/h8-13,15H,4-7H2,1-3H3,(H2,29,30,34)(H,26,27,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UZNWTDFCVWLNSW-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