General Information of the Compound
Compound ID
CP0477753
Compound Name
3-[1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-piperidyl]-5-phenyl-1,3,4-oxadiazol-2-one
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Structure
Formula
C23H22ClN3O3
Molecular Weight
423.9
Canonical SMILES
Clc1ccc(cc1)C1(CC1)C(=O)N1CCC(CC1)n1nc(oc1=O)-c1ccccc1
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InChI
InChI=1S/C23H22ClN3O3/c24-18-8-6-17(7-9-18)23(12-13-23)21(28)26-14-10-19(11-15-26)27-22(29)30-20(25-27)16-4-2-1-3-5-16/h1-9,19H,10-15H2
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InChIKey
CREWBZNTQFJRTK-UHFFFAOYSA-N
Physicochemical Property
logP
4.052
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
68.34
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 23612567
ChEMBL ID
CHEMBL1542168
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: PT05453, G-protein coupled receptor 55
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 640 nM
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