General Information of the Compound
Compound ID
CP0471380
Compound Name
6-(6-aminopyridin-3-yl)-N-(2-morpholin-4-yl-[1,3]oxazolo[5,4-b]pyridin-5-yl)pyridine-2-carboxamide
    Show/Hide
Structure
Formula
C21H19N7O3
Molecular Weight
417.429
Canonical SMILES
Nc1ccc(cn1)-c1cccc(n1)C(=O)Nc1ccc2nc(oc2n1)N1CCOCC1
    Show/Hide
InChI
InChI=1S/C21H19N7O3/c22-17-6-4-13(12-23-17)14-2-1-3-15(24-14)19(29)26-18-7-5-16-20(27-18)31-21(25-16)28-8-10-30-11-9-28/h1-7,12H,8-11H2,(H2,22,23)(H,26,27,29)
    Show/Hide
InChIKey
HIDYWAGOMSFXRB-UHFFFAOYSA-N
Physicochemical Property
logP
2.3509
Rotatable Bonds
4
Heavy Atom Count
31
Polar Areas
132.29
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
9
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 118224405
ChEMBL ID
CHEMBL4757221
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
CL000040 THP-1 Homo sapiens (Human)  1
1
IC50 > 1000 nM
   TI
   LI
   LO
   TS