General Information of the Compound
Compound ID
CP0191635
Compound Name
N-(2-chloro-5-imidazo[1,2-a]pyridin-6-ylpyridin-3-yl)-4-fluorobenzenesulfonamide
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Structure
Formula
C18H12ClFN4O2S
Molecular Weight
402.838
Canonical SMILES
Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1ccc2nccn2c1
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InChI
InChI=1S/C18H12ClFN4O2S/c19-18-16(23-27(25,26)15-4-2-14(20)3-5-15)9-13(10-22-18)12-1-6-17-21-7-8-24(17)11-12/h1-11,23H
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InChIKey
DNCWCPDSMUNNAM-UHFFFAOYSA-N
Physicochemical Property
logP
3.9896
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
76.36
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 53387411
SID: 125314806
ChEMBL ID
CHEMBL1822059
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: PT00845, RAC-alpha serine/threonine-protein kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000102 U-87MG ATCC Homo sapiens (Human)  1
1
IC50 = 574 nM
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