General Information of the Compound
Compound ID
CP0576869
Compound Name
N-[3-(2-hydroxypropan-2-yl)phenyl]-2-(4-methoxyphenyl)acetamide
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Structure
Formula
C18H21NO3
Molecular Weight
299.37
Canonical SMILES
COc1ccc(CC(=O)Nc2cccc(c2)C(C)(C)O)cc1
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InChI
InChI=1S/C18H21NO3/c1-18(2,21)14-5-4-6-15(12-14)19-17(20)11-13-7-9-16(22-3)10-8-13/h4-10,12,21H,11H2,1-3H3,(H,19,20)
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InChIKey
SJIBBJXKFLZRRV-UHFFFAOYSA-N
Physicochemical Property
logP
3.1038
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
58.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
22

"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: 168274823
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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