General Information of the Compound
Compound ID
CP0400233
Compound Name
N-naphthalen-2-yl-4-oxo-1H-quinoline-3-carboxamide
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Structure
Formula
C20H14N2O2
Molecular Weight
314.344
Canonical SMILES
O=C(Nc1ccc2ccccc2c1)c1c[nH]c2ccccc2c1=O
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InChI
InChI=1S/C20H14N2O2/c23-19-16-7-3-4-8-18(16)21-12-17(19)20(24)22-15-10-9-13-5-1-2-6-14(13)11-15/h1-12H,(H,21,23)(H,22,24)
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InChIKey
DKWFMNQPVZHXNA-UHFFFAOYSA-N
Physicochemical Property
logP
3.9336
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
61.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 39887958
ChEMBL ID
CHEMBL3356633
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: PT02042, Cystic fibrosis transmembrane conductance regulator
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
EC50 = 800 nM
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