General Information of the Compound
Compound ID
CP0465891
Compound Name
N-(2-cyclobutyl-1H-imidazo[4,5-b]pyridin-6-yl)-2,6-difluoro-3-(propylsulfonylamino)benzamide
    Show/Hide
Structure
Formula
C20H21F2N5O3S
Molecular Weight
449.483
Canonical SMILES
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(nc3c2)C2CCC2)c1F
    Show/Hide
InChI
InChI=1S/C20H21F2N5O3S/c1-2-8-31(29,30)27-14-7-6-13(21)16(17(14)22)20(28)24-12-9-15-19(23-10-12)26-18(25-15)11-4-3-5-11/h6-7,9-11,27H,2-5,8H2,1H3,(H,24,28)(H,23,25,26)
    Show/Hide
InChIKey
IKOQWROYZGPRAZ-UHFFFAOYSA-N
Physicochemical Property
logP
3.9076
Rotatable Bonds
7
Heavy Atom Count
31
Polar Areas
116.84
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
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: 44231605
SID: 85250858
ChEMBL ID
CHEMBL2436926
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: PT01381, Serine/threonine-protein kinase B-raf
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000212 Malme-3M Homo sapiens (Human)  1
1
IC50 = 3332 nM
   TI
   LI
   LO
   TS