General Information of the Compound
| Compound ID |
CP0504449
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(2-(2-tert-butylphenyl)benzofuran-7-yl)-3-(4-(trifluoromethoxy)phenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23F3N2O3
|
||||||||||||||||||
| Molecular Weight |
468.475
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccccc1-c1cc2cccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)c2o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23F3N2O3/c1-25(2,3)20-9-5-4-8-19(20)22-15-16-7-6-10-21(23(16)33-22)31-24(32)30-17-11-13-18(14-12-17)34-26(27,28)29/h4-15H,1-3H3,(H2,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VNHHQTUZHKPQBD-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