General Information of the Compound
Compound ID
CP0551535
Compound Name
2-(2-methylpyridin-4-yl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-1,3-oxazole-4-carboxamide
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Structure
Formula
C25H27N7O4
Molecular Weight
489.536
Canonical SMILES
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CCCCC1)N1CCOCC1
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InChI
InChI=1S/C25H27N7O4/c1-16-13-17(5-6-26-16)24-28-19(15-35-24)23(33)27-18-14-20-21(29-22(18)31-7-3-2-4-8-31)30-25(36-20)32-9-11-34-12-10-32/h5-6,13-15H,2-4,7-12H2,1H3,(H,27,33)
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InChIKey
QRCFVLZQXUUWQU-UHFFFAOYSA-N
Physicochemical Property
logP
3.66042
Rotatable Bonds
5
Heavy Atom Count
36
Polar Areas
122.65
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
10
Complexity
36

"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: 118224356
ChEMBL ID
CHEMBL4790506
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 = 5 nM
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