General Information of the Compound
Compound ID
CP0537769
Compound Name
N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-3-ylpyridine-2-carboxamide
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Structure
Formula
C22H19N5O3
Molecular Weight
401.426
Canonical SMILES
O=C(Nc1ccc2nc(oc2c1)N1CCOCC1)c1cccc(n1)-c1cccnc1
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InChI
InChI=1S/C22H19N5O3/c28-21(19-5-1-4-17(25-19)15-3-2-8-23-14-15)24-16-6-7-18-20(13-16)30-22(26-18)27-9-11-29-12-10-27/h1-8,13-14H,9-12H2,(H,24,28)
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InChIKey
ANJRGOGOHKYWQX-UHFFFAOYSA-N
Physicochemical Property
logP
3.3737
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
93.38
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
30

"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: 71542381
SID: 163540939
ChEMBL ID
CHEMBL4788562
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: PT00821, Interleukin-1 receptor-associated kinase 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 797 nM
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