General Information of the Compound
Compound ID
CP0542769
Compound Name
N-[3-(hydroxymethyl)phenyl]-2-(4-methoxyphenyl)acetamide
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Structure
Formula
C16H17NO3
Molecular Weight
271.316
Canonical SMILES
COc1ccc(CC(=O)Nc2cccc(CO)c2)cc1
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InChI
InChI=1S/C16H17NO3/c1-20-15-7-5-12(6-8-15)10-16(19)17-14-4-2-3-13(9-14)11-18/h2-9,18H,10-11H2,1H3,(H,17,19)
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InChIKey
AJEFBTNVOWMPLN-UHFFFAOYSA-N
Physicochemical Property
logP
2.3687
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
58.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 25664884
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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