General Information of the Compound
Compound ID
CP0191633
Compound Name
N-[5-(2-aminoimidazo[1,2-a]pyridin-6-yl)-2-chloropyridin-3-yl]-4-fluorobenzenesulfonamide
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Structure
Formula
C18H13ClFN5O2S
Molecular Weight
417.853
Canonical SMILES
Nc1cn2cc(ccc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
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InChI
InChI=1S/C18H13ClFN5O2S/c19-18-15(24-28(26,27)14-4-2-13(20)3-5-14)7-12(8-22-18)11-1-6-17-23-16(21)10-25(17)9-11/h1-10,24H,21H2
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InChIKey
ABCZKUIDXGHMIH-UHFFFAOYSA-N
Physicochemical Property
logP
3.5718
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
102.38
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 44125376
SID: 84977161
ChEMBL ID
CHEMBL1822058
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 > 12000 nM
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