General Information of the Compound
Compound ID
CP0262330
Compound Name
[4-[bis[(3,5-difluorophenyl)methyl]amino]phenyl]-[2-(4-methoxyphenyl)-1-benzofuran-3-yl]methanone
    Show/Hide
Structure
Formula
C36H25F4NO3
Molecular Weight
595.592
Canonical SMILES
COc1ccc(cc1)-c1oc2ccccc2c1C(=O)c1ccc(cc1)N(Cc1cc(F)cc(F)c1)Cc1cc(F)cc(F)c1
    Show/Hide
InChI
InChI=1S/C36H25F4NO3/c1-43-31-12-8-25(9-13-31)36-34(32-4-2-3-5-33(32)44-36)35(42)24-6-10-30(11-7-24)41(20-22-14-26(37)18-27(38)15-22)21-23-16-28(39)19-29(40)17-23/h2-19H,20-21H2,1H3
    Show/Hide
InChIKey
WCGAXZMSFZPYAZ-UHFFFAOYSA-N
Physicochemical Property
logP
9.1026
Rotatable Bonds
9
Heavy Atom Count
44
Polar Areas
42.68
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
44

"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
CID: 155515901
ChEMBL ID
CHEMBL4442586
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
Protein ID: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
2
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
2
Ki > 10000 nM
   TI
   LI
   LO
   TS