General Information of the Compound
Compound ID
CP0377961
Compound Name
4-methoxy-N-(3-phenylphenyl)benzamide
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Structure
Formula
C20H17NO2
Molecular Weight
303.361
Canonical SMILES
COc1ccc(cc1)C(=O)Nc1cccc(c1)-c1ccccc1
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InChI
InChI=1S/C20H17NO2/c1-23-19-12-10-16(11-13-19)20(22)21-18-9-5-8-17(14-18)15-6-3-2-4-7-15/h2-14H,1H3,(H,21,22)
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InChIKey
HXKOLFZOERCMAG-UHFFFAOYSA-N
Physicochemical Property
logP
4.6145
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 10828275
SID: 15869318
ChEMBL ID
CHEMBL164783
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: PT01279, Adenosine receptor A3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 10000 nM
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