General Information of the Compound
Compound ID
CP0413124
Compound Name
5-cyclopentyl-6-(cyclopropylmethoxy)-N-[3-[1-(2-methoxyethoxy)-2-methylpropan-2-yl]-1,2-oxazol-5-yl]pyridine-2-carboxamide
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Structure
Formula
C25H35N3O5
Molecular Weight
457.571
Canonical SMILES
COCCOCC(C)(C)c1cc(NC(=O)c2ccc(C3CCCC3)c(OCC3CC3)n2)on1
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InChI
InChI=1S/C25H35N3O5/c1-25(2,16-31-13-12-30-3)21-14-22(33-28-21)27-23(29)20-11-10-19(18-6-4-5-7-18)24(26-20)32-15-17-8-9-17/h10-11,14,17-18H,4-9,12-13,15-16H2,1-3H3,(H,27,29)
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InChIKey
GHVRZHSSLXEEAE-UHFFFAOYSA-N
Physicochemical Property
logP
4.7089
Rotatable Bonds
12
Heavy Atom Count
33
Polar Areas
95.71
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
33

"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: 118420675
ChEMBL ID
CHEMBL3582026
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 = 174.6 nM
   TI
   LI
   LO
   TS
2
EC50 > 10000 nM
   TI
   LI
   LO
   TS
3
Ki = 293.6 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 = 12.7 nM
   TI
   LI
   LO
   TS