General Information of the Compound
Compound ID
CP0370070
Compound Name
1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]azetidin-3-ol
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Structure
Formula
C19H20N6O2
Molecular Weight
364.409
Canonical SMILES
Nc1ncc(cn1)-c1ccc(cc1)C1(CCC1)c1noc(n1)N1CC(O)C1
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InChI
InChI=1S/C19H20N6O2/c20-17-21-8-13(9-22-17)12-2-4-14(5-3-12)19(6-1-7-19)16-23-18(27-24-16)25-10-15(26)11-25/h2-5,8-9,15,26H,1,6-7,10-11H2,(H2,20,21,22)
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InChIKey
PJLVGCHNBGXMJZ-UHFFFAOYSA-N
Physicochemical Property
logP
1.7597
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
114.19
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
27

"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: 137642758
ChEMBL ID
CHEMBL4088690
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: PT01683, Arachidonate 5-lipoxygenase-activating protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 160 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 315 nM