General Information of the Compound
Compound ID
CP0579044
Compound Name
N-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)acetamide
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Structure
Formula
C14H13NO3
Molecular Weight
243.262
Canonical SMILES
Oc1ccc(CC(=O)Nc2cccc(O)c2)cc1
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InChI
InChI=1S/C14H13NO3/c16-12-6-4-10(5-7-12)8-14(18)15-11-2-1-3-13(17)9-11/h1-7,9,16-17H,8H2,(H,15,18)
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InChIKey
GUCGLIZULYNATO-UHFFFAOYSA-N
Physicochemical Property
logP
2.279
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
69.56
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 28878488
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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