General Information of the Compound
Compound ID
CP0579775
Compound Name
N-(3-hydroxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
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Formula
C15H12F3NO3
Molecular Weight
311.259
Canonical SMILES
Oc1cccc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)c1
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InChI
InChI=1S/C15H12F3NO3/c16-15(17,18)22-13-6-4-10(5-7-13)8-14(21)19-11-2-1-3-12(20)9-11/h1-7,9,20H,8H2,(H,19,21)
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InChIKey
DTSFDQNVCCAZLL-UHFFFAOYSA-N
Physicochemical Property
logP
3.472
Rotatable Bonds
4
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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ChEMBL ID
CHEMBL5203191
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 = 2318 nM
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