General Information of the Compound
Compound ID
CP0554756
Compound Name
N-(1-cyclohexylpiperidin-4-yl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole-3-carboxamide
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Formula
C20H24F2N4O2
Molecular Weight
390.434
Canonical SMILES
Fc1ccc(-c2nc(no2)C(=O)NC2CCN(CC2)C2CCCCC2)c(F)c1
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InChI
InChI=1S/C20H24F2N4O2/c21-13-6-7-16(17(22)12-13)20-24-18(25-28-20)19(27)23-14-8-10-26(11-9-14)15-4-2-1-3-5-15/h6-7,12,14-15H,1-5,8-11H2,(H,23,27)
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InChIKey
NDWHZYVXEYFGHC-UHFFFAOYSA-N
Physicochemical Property
logP
3.5417
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
71.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
28

"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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ChEMBL ID
CHEMBL4750452
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: PT04108, Atypical chemokine receptor 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 20 nM
   TI
   LI
   LO
   TS
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 = 554 nM
   TI
   LI
   LO
   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 2700 nM
   TI
   LI
   LO
   TS