General Information of the Compound
Compound ID
CP0143258
Compound Name
N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-phenyl-1H-imidazo[4,5-b]pyridine-7-carboxamide
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Structure
Formula
C23H23N5O3S
Molecular Weight
449.536
Canonical SMILES
CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccccc2)cc1
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InChI
InChI=1S/C23H23N5O3S/c1-2-32(30,31)28-18-10-8-16(9-11-18)12-14-25-23(29)19-13-15-24-22-20(19)26-21(27-22)17-6-4-3-5-7-17/h3-11,13,15,28H,2,12,14H2,1H3,(H,25,29)(H,24,26,27)
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InChIKey
JLMLOAXSQPVMKQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.359
Rotatable Bonds
8
Heavy Atom Count
32
Polar Areas
116.84
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 57766769
ChEMBL ID
CHEMBL2048658
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: PT00962, Glycogen synthase kinase-3 beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000264 RD Homo sapiens (Human)  1
1
EC50 = 62 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 14 nM