General Information of the Compound
Compound ID
CP0542696
Compound Name
2-(4-Hydroxyphenyl)-2-phenyl-N-(3,3-diphenylpropyl)-acetamide
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Structure
Formula
C29H27NO2
Molecular Weight
421.54
Canonical SMILES
Oc1ccc(cc1)C(C(=O)NCCC(c1ccccc1)c1ccccc1)c1ccccc1
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InChI
InChI=1S/C29H27NO2/c31-26-18-16-25(17-19-26)28(24-14-8-3-9-15-24)29(32)30-21-20-27(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-19,27-28,31H,20-21H2,(H,30,32)
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InChIKey
PUNUOYSYEBMZFP-UHFFFAOYSA-N
Physicochemical Property
logP
5.8625
Rotatable Bonds
8
Heavy Atom Count
32
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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).

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PubChem ID
CID: 44578655
ChEMBL ID
CHEMBL518595
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 = 1100 nM
   TI
   LI
   LO
   TS