General Information of the Compound
Compound ID
CP0547263
Compound Name
1-(6-(2-chlorophenyl)-5-(4-chlorophenyl)pyrazin-2-yl)-4-(ethylamino)piperidine-4-carboxamide
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Structure
Formula
C24H25Cl2N5O
Molecular Weight
470.404
Canonical SMILES
CCNC1(CCN(CC1)c1cnc(-c2ccc(Cl)cc2)c(n1)-c1ccccc1Cl)C(N)=O
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InChI
InChI=1S/C24H25Cl2N5O/c1-2-29-24(23(27)32)11-13-31(14-12-24)20-15-28-21(16-7-9-17(25)10-8-16)22(30-20)18-5-3-4-6-19(18)26/h3-10,15,29H,2,11-14H2,1H3,(H2,27,32)
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InChIKey
USZBOFHHUIVKCR-UHFFFAOYSA-N
Physicochemical Property
logP
4.5512
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
84.14
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 11998407
SID: 17497576
ChEMBL ID
CHEMBL522720
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 1.66 nM
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