General Information of the Compound
Compound ID
CP0372609
Compound Name
2-(4-Bromophenyl)-2-phenyl-N-(3,3-diphenylpropyl)-acetamide
    Show/Hide
Structure
Formula
C29H26BrNO
Molecular Weight
484.437
Canonical SMILES
Brc1ccc(cc1)C(C(=O)NCCC(c1ccccc1)c1ccccc1)c1ccccc1
    Show/Hide
InChI
InChI=1S/C29H26BrNO/c30-26-18-16-25(17-19-26)28(24-14-8-3-9-15-24)29(32)31-21-20-27(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-19,27-28H,20-21H2,(H,31,32)
    Show/Hide
InChIKey
ADJIIHSTLRSGCS-UHFFFAOYSA-N
Physicochemical Property
logP
6.9194
Rotatable Bonds
8
Heavy Atom Count
32
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
32

"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: 44578619
ChEMBL ID
CHEMBL475910
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)  1
1
Ki = 220 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)  1
1
Ki > 7900 nM
   TI
   LI
   LO
   TS