General Information of the Compound
Compound ID
CP0255952
Compound Name
N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]pyridin-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
    Show/Hide
Structure
Formula
C20H15ClFN5O3S
Molecular Weight
459.89
Canonical SMILES
CC(=O)Nc1cn2cc(ccc2n1)-c1cnc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
    Show/Hide
InChI
InChI=1S/C20H15ClFN5O3S/c1-12(28)24-18-11-27-10-13(2-7-19(27)25-18)14-8-17(20(21)23-9-14)26-31(29,30)16-5-3-15(22)4-6-16/h2-11,26H,1H3,(H,24,28)
    Show/Hide
InChIKey
XNIJHVMYDIVRJQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.948
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
105.46
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
31

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44125377
SID: 84977162
ChEMBL ID
CHEMBL1822057
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 = 118 nM
   TI
   LI
   LO
   TS