General Information of the Compound
Compound ID
CP0372352
Compound Name
N-(3,3-diphenylpropyl)-2,2-diphenylacetamide
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Synonyms
AC1N5W5U
AKOS003236993
BDBM50263033
CHEMBL476529
MCULE-9181870252
N-(3,3-Diphenyl)propyl-2,2-diphenylacetamide
N-(3,3-diphenylpropyl)-2,2-diphenylacetamide
Oprea1_456266
SR-01000512723
ST45008037
ZINC3166084
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Structure
Formula
C29H27NO
Molecular Weight
405.541
Canonical SMILES
O=C(NCCC(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C29H27NO/c31-29(28(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/h1-20,27-28H,21-22H2,(H,30,31)
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InChIKey
LMRDWMVRJNJYIQ-UHFFFAOYSA-N
Physicochemical Property
logP
6.1569
Rotatable Bonds
8
Heavy Atom Count
31
Polar Areas
29.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
31

"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: 4225440
SID: 56479823
ChEMBL ID
CHEMBL476529
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 = 58 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
Clinical Information about the Compound
Drug 1 ( N-(3,3-Diphenyl)propyl-2,2-diphenylacetamide )
Drug Name N-(3,3-Diphenyl)propyl-2,2-diphenylacetamide
Target(s)
Cannabinoid receptor 2 (CB2)
Inhibitor
Cannabinoid receptor 1 (CB1)
Inhibitor