General Information of the Compound
Compound ID
CP0386231
Compound Name
2-(5-amino-1,2-oxazol-3-yl)propan-2-yl 6-(cyclopropylmethoxy)-5-(3-methoxyazetidin-1-yl)pyridine-2-carboxylate
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Structure
Formula
C20H26N4O5
Molecular Weight
402.451
Canonical SMILES
COC1CN(C1)c1ccc(nc1OCC1CC1)C(=O)OC(C)(C)c1cc(N)on1
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InChI
InChI=1S/C20H26N4O5/c1-20(2,16-8-17(21)29-23-16)28-19(25)14-6-7-15(24-9-13(10-24)26-3)18(22-14)27-11-12-4-5-12/h6-8,12-13H,4-5,9-11,21H2,1-3H3
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InChIKey
JZTWQTQJHAUDDA-UHFFFAOYSA-N
Physicochemical Property
logP
2.3677
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
112.94
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
Complexity
29

"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: 122179273
ChEMBL ID
CHEMBL3582014
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 = 154.8 nM
   TI
   LI
   LO
   TS
2
EC50 > 10000 nM
   TI
   LI
   LO
   TS
3
Ki > 10000 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 = 2277.9 nM
   TI
   LI
   LO
   TS