General Information of the Compound
Compound ID
CP0524192
Compound Name
2-(4-Methoxyphenyl)-2-phenyl-N-(3,3-diphenylpropyl)-acetamide
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Structure
Formula
C30H29NO2
Molecular Weight
435.567
Canonical SMILES
COc1ccc(cc1)C(C(=O)NCCC(c1ccccc1)c1ccccc1)c1ccccc1
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InChI
InChI=1S/C30H29NO2/c1-33-27-19-17-26(18-20-27)29(25-15-9-4-10-16-25)30(32)31-22-21-28(23-11-5-2-6-12-23)24-13-7-3-8-14-24/h2-20,28-29H,21-22H2,1H3,(H,31,32)
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InChIKey
BDKFRSTWXMRHIP-UHFFFAOYSA-N
Physicochemical Property
logP
6.1655
Rotatable Bonds
9
Heavy Atom Count
33
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
33

"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: 44578620
ChEMBL ID
CHEMBL478210
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 = 560 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 = 790 nM
   TI
   LI
   LO
   TS