General Information of the Compound
Compound ID
CP0569667
Compound Name
2-(4-methoxyphenyl)-N-(3-oxo-1,2-dihydroinden-5-yl)acetamide
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Structure
Formula
C18H17NO3
Molecular Weight
295.338
Canonical SMILES
COc1ccc(CC(=O)Nc2ccc3CCC(=O)c3c2)cc1
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InChI
InChI=1S/C18H17NO3/c1-22-15-7-2-12(3-8-15)10-18(21)19-14-6-4-13-5-9-17(20)16(13)11-14/h2-4,6-8,11H,5,9-10H2,1H3,(H,19,21)
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InChIKey
MFRCXNIOMBFIAD-UHFFFAOYSA-N
Physicochemical Property
logP
3.0053
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
55.4
Hydrogen Bond Donor Count
1
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: 168294524
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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