General Information of the Compound
Compound ID
CP0379014
Compound Name
3-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(6-chloro-1,8-naphthyridin-3-yl)propanamide
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Structure
Formula
C19H12Cl2FN5O2
Molecular Weight
432.242
Canonical SMILES
Fc1ccc(-c2noc(CCC(=O)Nc3cnc4ncc(Cl)cc4c3)n2)c(Cl)c1
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InChI
InChI=1S/C19H12Cl2FN5O2/c20-11-5-10-6-13(9-24-18(10)23-8-11)25-16(28)3-4-17-26-19(27-29-17)14-2-1-12(22)7-15(14)21/h1-2,5-9H,3-4H2,(H,25,28)
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InChIKey
GUXZMJXQQKUUOL-UHFFFAOYSA-N
Physicochemical Property
logP
4.697
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
93.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 25034140
SID: 56384946
ChEMBL ID
CHEMBL499050
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: PT02190, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 220 nM
   TI
   LI
   LO
   TS
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
EC50 = 2300 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 > 1000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02333, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 0.4 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 0.6 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
EC50 = 3.3 nM
   TI
   LI
   LO
   TS