General Information of the Compound
Compound ID
CP0152207
Compound Name
3-[(4-chlorophenyl)-(2-chloropyridin-3-yl)methoxy]-N,N-diethylazetidine-1-carboxamide
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Structure
Formula
C20H23Cl2N3O2
Molecular Weight
408.329
Canonical SMILES
CCN(CC)C(=O)N1CC(C1)OC(c1ccc(Cl)cc1)c1cccnc1Cl
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InChI
InChI=1S/C20H23Cl2N3O2/c1-3-24(4-2)20(26)25-12-16(13-25)27-18(14-7-9-15(21)10-8-14)17-6-5-11-23-19(17)22/h5-11,16,18H,3-4,12-13H2,1-2H3
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InChIKey
SWLNYFKXWZZDQO-UHFFFAOYSA-N
Physicochemical Property
logP
4.6404
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
45.67
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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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PubChem ID
CID: 57394764
ChEMBL ID
CHEMBL1952267
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: PT01099, Fatty-acid amide hydrolase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 62400 nM
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