General Information of the Compound
Compound ID
CP0573621
Compound Name
4-(3-tert-butyl-2-methylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
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Structure
Formula
C16H20N6
Molecular Weight
296.378
Canonical SMILES
Cc1nc2ccc(nc2n1C(C)(C)C)-c1cc(N)nc(N)c1
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InChI
InChI=1S/C16H20N6/c1-9-19-12-6-5-11(10-7-13(17)21-14(18)8-10)20-15(12)22(9)16(2,3)4/h5-8H,1-4H3,(H4,17,18,21)
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InChIKey
UCULOFHOCATNHB-UHFFFAOYSA-N
Physicochemical Property
logP
2.72112
Rotatable Bonds
1
Heavy Atom Count
22
Polar Areas
95.64
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
22

"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: 135336023
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 = 228 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 7 nM