General Information of the Compound
| Compound ID |
CP0101620
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-{4-[3,5-Di-tert-butyl-2-(3-fluoro-propoxy)-phenyl]-benzo[b]thiophen-2-yl}-but-2-enoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H35FO3S
|
||||||||||||||||||
| Molecular Weight |
482.661
|
||||||||||||||||||
| Canonical SMILES |
C\C(=C/C(O)=O)c1cc2c(cccc2s1)-c1cc(cc(c1OCCCF)C(C)(C)C)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H35FO3S/c1-18(14-26(31)32)25-17-21-20(10-8-11-24(21)34-25)22-15-19(28(2,3)4)16-23(29(5,6)7)27(22)33-13-9-12-30/h8,10-11,14-17H,9,12-13H2,1-7H3,(H,31,32)/b18-14+
Show/Hide
|
||||||||||||||||||
| InChIKey |
MFAMOXYOFZHOGZ-NBVRZTHBSA-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