General Information of the Compound
Compound ID
CP0570066
Compound Name
N-[(3-hydroxyphenyl)methyl]-2-(1H-indol-6-yl)acetamide
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Structure
Formula
C17H16N2O2
Molecular Weight
280.327
Canonical SMILES
Oc1cccc(CNC(=O)Cc2ccc3cc[nH]c3c2)c1
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InChI
InChI=1S/C17H16N2O2/c20-15-3-1-2-13(8-15)11-19-17(21)10-12-4-5-14-6-7-18-16(14)9-12/h1-9,18,20H,10-11H2,(H,19,21)
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InChIKey
QEKWOXFEORMBCF-UHFFFAOYSA-N
Physicochemical Property
logP
2.7324
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
65.12
Hydrogen Bond Donor Count
3
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: 168281469
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 = 4146 nM
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