General Information of the Compound
Compound ID
CP0567983
Compound Name
N-(3-hydroxyphenyl)-2-(4-nitrophenyl)acetamide
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Structure
Formula
C14H12N2O4
Molecular Weight
272.26
Canonical SMILES
Oc1cccc(NC(=O)Cc2ccc(cc2)[N+]([O-])=O)c1
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InChI
InChI=1S/C14H12N2O4/c17-13-3-1-2-11(9-13)15-14(18)8-10-4-6-12(7-5-10)16(19)20/h1-7,9,17H,8H2,(H,15,18)
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InChIKey
BIDSJTFCLFZENE-UHFFFAOYSA-N
Physicochemical Property
logP
2.4816
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
92.47
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 309690
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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