General Information of the Compound
Compound ID
CP0385965
Compound Name
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-2-yl]pyridine-2-carboxamide
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Structure
Formula
C24H25F2N5O3
Molecular Weight
469.492
Canonical SMILES
CC(C)(NC(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)c1nnc(o1)-c1ccccc1
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InChI
InChI=1S/C24H25F2N5O3/c1-23(2,22-30-29-20(34-22)16-6-4-3-5-7-16)28-19(32)17-10-11-18(31-13-24(25,26)14-31)21(27-17)33-12-15-8-9-15/h3-7,10-11,15H,8-9,12-14H2,1-2H3,(H,28,32)
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InChIKey
PGJSPBWDSQONLP-UHFFFAOYSA-N
Physicochemical Property
logP
4.0408
Rotatable Bonds
8
Heavy Atom Count
34
Polar Areas
93.38
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
34

"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: 122179277
ChEMBL ID
CHEMBL3582022
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)  2
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
2
Ki = 3958.3 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 > 10000 nM
   TI
   LI
   LO
   TS