General Information of the Compound
Compound ID
CP0569028
Compound Name
N-(3-hydroxyphenyl)-2-(4-phenylmethoxyphenyl)acetamide
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Structure
Formula
C21H19NO3
Molecular Weight
333.387
Canonical SMILES
Oc1cccc(NC(=O)Cc2ccc(OCc3ccccc3)cc2)c1
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InChI
InChI=1S/C21H19NO3/c23-19-8-4-7-18(14-19)22-21(24)13-16-9-11-20(12-10-16)25-15-17-5-2-1-3-6-17/h1-12,14,23H,13,15H2,(H,22,24)
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InChIKey
HLSFNKUQXIBNQY-UHFFFAOYSA-N
Physicochemical Property
logP
4.1524
Rotatable Bonds
6
Heavy Atom Count
25
Polar Areas
58.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 168279094
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: PT03614, NACHT, LRR and PYD domains-containing protein 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000040 THP-1 Homo sapiens (Human)  1
1
IC50 > 100000 nM
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