General Information of the Compound
Compound ID
CP0537064
Compound Name
N-(1-cyclohexylpiperidin-4-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
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Formula
C20H26N4O2
Molecular Weight
354.454
Canonical SMILES
O=C(NC1CCN(CC1)C1CCCCC1)c1cc(on1)-c1cccnc1
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InChI
InChI=1S/C20H26N4O2/c25-20(18-13-19(26-23-18)15-5-4-10-21-14-15)22-16-8-11-24(12-9-16)17-6-2-1-3-7-17/h4-5,10,13-14,16-17H,1-3,6-9,11-12H2,(H,22,25)
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InChIKey
PANJBVJADAGBRR-UHFFFAOYSA-N
Physicochemical Property
logP
3.2635
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
71.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
26

"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
CHEMBL4748916
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 > 10000 nM
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