General Information of the Compound
Compound ID
CP0305942
Compound Name
azetidin-1-yl-[3-[(4-chlorophenyl)-(2-chloropyridin-3-yl)methoxy]azetidin-1-yl]methanone
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Structure
Formula
C19H19Cl2N3O2
Molecular Weight
392.286
Canonical SMILES
Clc1ccc(cc1)C(OC1CN(C1)C(=O)N1CCC1)c1cccnc1Cl
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InChI
InChI=1S/C19H19Cl2N3O2/c20-14-6-4-13(5-7-14)17(16-3-1-8-22-18(16)21)26-15-11-24(12-15)19(25)23-9-2-10-23/h1,3-8,15,17H,2,9-12H2
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InChIKey
DYRFEPBVSNYXAJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.0043
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
45.67
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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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PubChem ID
CID: 57398705
ChEMBL ID
CHEMBL1952086
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 = 98800 nM
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