General Information of the Compound
Compound ID
CP0528142
Compound Name
N-(3,3-diphenylpropyl)-2-hydroxy-2,2-diphenylacetamide
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Structure
Formula
C29H27NO2
Molecular Weight
421.54
Canonical SMILES
OC(C(=O)NCCC(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C29H27NO2/c31-28(29(32,25-17-9-3-10-18-25)26-19-11-4-12-20-26)30-22-21-27(23-13-5-1-6-14-23)24-15-7-2-8-16-24/h1-20,27,32H,21-22H2,(H,30,31)
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InChIKey
OAJFKXVFJAPTQM-UHFFFAOYSA-N
Physicochemical Property
logP
5.2609
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: 44578576
ChEMBL ID
CHEMBL478625
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 = 2200 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 = 2300 nM
   TI
   LI
   LO
   TS