General Information of the Compound
Compound ID
CP0511866
Compound Name
6-(6-aminopyridin-3-yl)-N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)pyridine-2-carboxamide
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Structure
Formula
C22H20N6O3
Molecular Weight
416.441
Canonical SMILES
Nc1ccc(cn1)-c1cccc(n1)C(=O)Nc1ccc2nc(oc2c1)N1CCOCC1
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InChI
InChI=1S/C22H20N6O3/c23-20-7-4-14(13-24-20)16-2-1-3-18(26-16)21(29)25-15-5-6-17-19(12-15)31-22(27-17)28-8-10-30-11-9-28/h1-7,12-13H,8-11H2,(H2,23,24)(H,25,29)
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InChIKey
WAVSBTYNRVHVFV-UHFFFAOYSA-N
Physicochemical Property
logP
2.9559
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
119.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
31

"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: 71542476
SID: 163541041
ChEMBL ID
CHEMBL4790504
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 = 397 nM
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