General Information of the Compound
| Compound ID |
CP0401561
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[[4-(2,4,5-trifluorophenyl)phenoxy]methyl]-1H-2,1-benzoxazol-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H12F3NO3
|
||||||||||||||||||
| Molecular Weight |
371.314
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(F)c(cc1F)-c1ccc(OCc2cccc3c2[nH]oc3=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H12F3NO3/c21-16-9-18(23)17(22)8-15(16)11-4-6-13(7-5-11)26-10-12-2-1-3-14-19(12)24-27-20(14)25/h1-9,24H,10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
YDIUCHIYCFBPNC-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