General Information of the Compound
Compound ID
CP0574230
Compound Name
4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
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Structure
Formula
C19H26N6
Molecular Weight
338.459
Canonical SMILES
CCCCc1nc2ccc(nc2n1CCCC)-c1cc(N)nc(N)c1
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InChI
InChI=1S/C19H26N6/c1-3-5-7-18-22-15-9-8-14(13-11-16(20)24-17(21)12-13)23-19(15)25(18)10-6-4-2/h8-9,11-12H,3-7,10H2,1-2H3,(H4,20,21,24)
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InChIKey
IQINXSAAPBBCLN-UHFFFAOYSA-N
Physicochemical Property
logP
3.8004
Rotatable Bonds
7
Heavy Atom Count
25
Polar Areas
95.64
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 135335840
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 = 128 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 8 nM