General Information of the Compound
Compound ID
CP0569842
Compound Name
4-[3-(3-methoxypropyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
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Structure
Formula
C16H20N6O
Molecular Weight
312.377
Canonical SMILES
COCCCn1c(C)nc2ccc(nc12)-c1cc(N)nc(N)c1
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InChI
InChI=1S/C16H20N6O/c1-10-19-13-5-4-12(11-8-14(17)21-15(18)9-11)20-16(13)22(10)6-3-7-23-2/h4-5,8-9H,3,6-7H2,1-2H3,(H4,17,18,21)
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InChIKey
HPYSMRPYCUVINY-UHFFFAOYSA-N
Physicochemical Property
logP
2.00262
Rotatable Bonds
5
Heavy Atom Count
23
Polar Areas
104.87
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
23

"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: 135335808
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: PT01592, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  1
1
IC50 = 280 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 6 nM