General Information of the Compound
Compound ID
CP0578675
Compound Name
N-(3-hydroxyphenyl)-2-naphthalen-1-ylacetamide
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Structure
Formula
C18H15NO2
Molecular Weight
277.323
Canonical SMILES
Oc1cccc(NC(=O)Cc2cccc3ccccc23)c1
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InChI
InChI=1S/C18H15NO2/c20-16-9-4-8-15(12-16)19-18(21)11-14-7-3-6-13-5-1-2-10-17(13)14/h1-10,12,20H,11H2,(H,19,21)
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InChIKey
ZSZSKQBTDJDJLU-UHFFFAOYSA-N
Physicochemical Property
logP
3.7266
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
49.33
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 836655
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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