General Information of the Compound
Compound ID
CP0961733
Compound Name
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl-3,5-difluoropicolinamide
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Structure
Formula
C24H18F4N4O2
Molecular Weight
470.426
Canonical SMILES
N#Cc1ccc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2ncc(F)cc2F)c1
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InChI
InChI=1S/C24H18F4N4O2/c25-15-2-4-22(18(27)10-15)34-17-5-7-32(8-6-17)21-3-1-14(12-29)9-20(21)31-24(33)23-19(28)11-16(26)13-30-23/h1-4,9-11,13,17H,5-8H2,(H,31,33)
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InChIKey
JZPCETJMMYVSSD-UHFFFAOYSA-N
Physicochemical Property
logP
4.80978
Rotatable Bonds
5
Heavy Atom Count
34
Polar Areas
78.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
34

"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: 135349255
ChEMBL ID
CHEMBL4436944
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: PT06269, G-protein coupled receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 316.23 nM
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