General Information of the Compound
Compound ID
CP0543130
Compound Name
2-(4-acetamidophenyl)-N-(3-hydroxyphenyl)acetamide
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Structure
Formula
C16H16N2O3
Molecular Weight
284.315
Canonical SMILES
CC(=O)Nc1ccc(CC(=O)Nc2cccc(O)c2)cc1
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InChI
InChI=1S/C16H16N2O3/c1-11(19)17-13-7-5-12(6-8-13)9-16(21)18-14-3-2-4-15(20)10-14/h2-8,10,20H,9H2,1H3,(H,17,19)(H,18,21)
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InChIKey
WHHPZNTVPRDLQF-UHFFFAOYSA-N
Physicochemical Property
logP
2.5318
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
78.43
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
21

"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: 108792609
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 = 3625 nM
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