General Information of the Compound
Compound ID
CP0486616
Compound Name
6-(6-aminopyridin-3-yl)-N-(2-morpholin-4-yl-5-piperidin-1-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide
    Show/Hide
Structure
Formula
C26H28N8O3
Molecular Weight
500.563
Canonical SMILES
Nc1ccc(cn1)-c1cccc(n1)C(=O)Nc1cc2oc(nc2nc1N1CCCCC1)N1CCOCC1
    Show/Hide
InChI
InChI=1S/C26H28N8O3/c27-22-8-7-17(16-28-22)18-5-4-6-19(29-18)25(35)30-20-15-21-23(31-24(20)33-9-2-1-3-10-33)32-26(37-21)34-11-13-36-14-12-34/h4-8,15-16H,1-3,9-14H2,(H2,27,28)(H,30,35)
    Show/Hide
InChIKey
MDMIHIDXCRKPKM-UHFFFAOYSA-N
Physicochemical Property
logP
3.3412
Rotatable Bonds
5
Heavy Atom Count
37
Polar Areas
135.53
Hydrogen Bond Donor Count
2
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 124196707
ChEMBL ID
CHEMBL4743091
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 = 2.8 nM
   TI
   LI
   LO
   TS