General Information of the Compound
Compound ID
CP0544882
Compound Name
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-5-methylphenyl]-2-(3-methylphenyl)acetamide
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Structure
Formula
C23H19ClN2O2
Molecular Weight
390.87
Canonical SMILES
Cc1cccc(CC(=O)Nc2cc(C)cc(c2)-c2nc3cc(Cl)ccc3o2)c1
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InChI
InChI=1S/C23H19ClN2O2/c1-14-4-3-5-16(8-14)11-22(27)25-19-10-15(2)9-17(12-19)23-26-20-13-18(24)6-7-21(20)28-23/h3-10,12-13H,11H2,1-2H3,(H,25,27)
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InChIKey
VLZCXSYCBYCXRM-UHFFFAOYSA-N
Physicochemical Property
logP
5.94624
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
55.13
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 168271452
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 = 9.7 nM
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