General Information of the Compound
Compound ID
CP0558452
Compound Name
N-(1-cyclohexylpiperidin-4-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
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Formula
C21H26FN3O2
Molecular Weight
371.456
Canonical SMILES
Fc1ccc(cc1)-c1cc(no1)C(=O)NC1CCN(CC1)C1CCCCC1
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InChI
InChI=1S/C21H26FN3O2/c22-16-8-6-15(7-9-16)20-14-19(24-27-20)21(26)23-17-10-12-25(13-11-17)18-4-2-1-3-5-18/h6-9,14,17-18H,1-5,10-13H2,(H,23,26)
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InChIKey
QLJVSIIJSDQSQC-UHFFFAOYSA-N
Physicochemical Property
logP
4.0076
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
58.37
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
27

"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
CHEMBL4763552
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 = 53 nM
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