General Information of the Compound
| Compound ID |
CP0166196
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-{7-[2-(3-Fluoro-propoxy)-3,5-diisopropyl-phenyl]-benzofuran-2-yl}-but-2-enoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31FO4
|
||||||||||||||||||
| Molecular Weight |
438.539
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cc(C(C)C)c(OCCCF)c(c1)-c1cccc2cc(oc12)C(\C)=C\C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31FO4/c1-16(2)20-13-22(17(3)4)27(31-11-7-10-28)23(14-20)21-9-6-8-19-15-24(32-26(19)21)18(5)12-25(29)30/h6,8-9,12-17H,7,10-11H2,1-5H3,(H,29,30)/b18-12+
Show/Hide
|
||||||||||||||||||
| InChIKey |
SPSOFQGNXAPYIS-LDADJPATSA-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