General Information of the Compound
Compound ID
CP0479506
Compound Name
2-(4-bromophenyl)-N-(3,3-diphenylpropyl)acetamide
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Structure
Formula
C23H22BrNO
Molecular Weight
408.339
Canonical SMILES
Brc1ccc(CC(=O)NCCC(c2ccccc2)c2ccccc2)cc1
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InChI
InChI=1S/C23H22BrNO/c24-21-13-11-18(12-14-21)17-23(26)25-16-15-22(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,22H,15-17H2,(H,25,26)
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InChIKey
OMQOARKDDJLKGC-UHFFFAOYSA-N
Physicochemical Property
logP
5.33
Rotatable Bonds
7
Heavy Atom Count
26
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
26

"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).

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PubChem ID
CID: 2117799
ChEMBL ID
CHEMBL517815
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 = 800 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 = 1300 nM
   TI
   LI
   LO
   TS