General Information of the Compound
Compound ID
CP0573861
Compound Name
N-[5-(4-fluoropiperidin-1-yl)-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
C25H26FN7O4
Molecular Weight
507.526
Canonical SMILES
Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cc2oc(nc2nc1N1CCC(F)CC1)N1CCOCC1
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InChI
InChI=1S/C25H26FN7O4/c1-15-12-16(2-5-27-15)24-29-19(14-36-24)23(34)28-18-13-20-21(30-22(18)32-6-3-17(26)4-7-32)31-25(37-20)33-8-10-35-11-9-33/h2,5,12-14,17H,3-4,6-11H2,1H3,(H,28,34)
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InChIKey
RCRXLMTZSKNLAP-UHFFFAOYSA-N
Physicochemical Property
logP
3.60842
Rotatable Bonds
5
Heavy Atom Count
37
Polar Areas
122.65
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
10
Complexity
37

"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: 118224353
ChEMBL ID
CHEMBL4784665
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 = 3.6 nM
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