General Information of the Compound
Compound ID
CP0546981
Compound Name
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide
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Structure
Formula
C22H17ClN2O3
Molecular Weight
392.842
Canonical SMILES
COc1ccccc1CC(=O)Nc1cccc(c1)-c1nc2cc(Cl)ccc2o1
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InChI
InChI=1S/C22H17ClN2O3/c1-27-19-8-3-2-5-14(19)12-21(26)24-17-7-4-6-15(11-17)22-25-18-13-16(23)9-10-20(18)28-22/h2-11,13H,12H2,1H3,(H,24,26)
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InChIKey
UWKMOVXANPSFTC-UHFFFAOYSA-N
Physicochemical Property
logP
5.338
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
64.36
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 153526157
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: PT05434, P2Y purinoceptor 14
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 17.1 nM
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