General Information of the Compound
| Compound ID |
CP0557123
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(3-fluoro-4-isoquinolin-1-yloxyphenyl)urea
Show/Hide
|
||||||||||||||||||
| Formula |
C23H21FN4O3
|
||||||||||||||||||
| Molecular Weight |
420.444
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3nccc4ccccc34)c(F)c2)no1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21FN4O3/c1-23(2,3)19-13-20(28-31-19)27-22(29)26-15-8-9-18(17(24)12-15)30-21-16-7-5-4-6-14(16)10-11-25-21/h4-13H,1-3H3,(H2,26,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ATDNCRLNUWIUST-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 | |||||||||||||||||||
| 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