General Information of the Compound
Compound ID
CP0572497
Compound Name
N-(5-cyclopropyl-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-2-(2-methylpyridin-4-yl)-1,3-oxazole-4-carboxamide
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Structure
Formula
C23H22N6O4
Molecular Weight
446.467
Canonical SMILES
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1C1CC1)N1CCOCC1
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InChI
InChI=1S/C23H22N6O4/c1-13-10-15(4-5-24-13)22-26-17(12-32-22)21(30)25-16-11-18-20(27-19(16)14-2-3-14)28-23(33-18)29-6-8-31-9-7-29/h4-5,10-12,14H,2-3,6-9H2,1H3,(H,25,30)
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InChIKey
CCWQTGLUTUNECO-UHFFFAOYSA-N
Physicochemical Property
logP
3.54752
Rotatable Bonds
5
Heavy Atom Count
33
Polar Areas
119.41
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
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: 91824142
ChEMBL ID
CHEMBL4748082
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 = 55.4 nM
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