General Information of the Compound
| Compound ID |
CP0914664
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(5-(tert-butyl)isoxazol-3-yl)-3-(4-(1-(4-(2-morpholinoethoxy)-3-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)phenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H32F3N7O4
|
||||||||||||||||||
| Molecular Weight |
599.614
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn(-c4ccc(OCCN5CCOCC5)c(C(F)(F)F)c4)nn3)cc2)no1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H32F3N7O4/c1-28(2,3)25-17-26(36-43-25)34-27(40)33-20-6-4-19(5-7-20)23-18-39(37-35-23)21-8-9-24(22(16-21)29(30,31)32)42-15-12-38-10-13-41-14-11-38/h4-9,16-18H,10-15H2,1-3H3,(H2,33,34,36,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VWUMEEXXWOJRCN-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