General Information of the Compound
Compound ID
CP0420371
Compound Name
N-[3-(2-amino-2-oxoethyl)oxetan-3-yl]-6-(cyclopropylmethoxy)-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxamide
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Structure
Formula
C19H26N4O5
Molecular Weight
390.44
Canonical SMILES
COC1CN(C1)c1ccc(nc1OCC1CC1)C(=O)NC1(CC(N)=O)COC1
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InChI
InChI=1S/C19H26N4O5/c1-26-13-7-23(8-13)15-5-4-14(21-18(15)28-9-12-2-3-12)17(25)22-19(6-16(20)24)10-27-11-19/h4-5,12-13H,2-3,6-11H2,1H3,(H2,20,24)(H,22,25)
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InChIKey
DVRPSQSROOCQMI-UHFFFAOYSA-N
Physicochemical Property
logP
0.0796
Rotatable Bonds
9
Heavy Atom Count
28
Polar Areas
116.01
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
28

"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: 118418664
ChEMBL ID
CHEMBL3582013
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: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  3
1
EC50 = 66.8 nM
   TI
   LI
   LO
   TS
2
EC50 > 10000 nM
   TI
   LI
   LO
   TS
3
Ki = 1017.3 nM
   TI
   LI
   LO
   TS
Protein ID: PT01998, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 3113.5 nM
   TI
   LI
   LO
   TS