General Information of the Compound
Compound ID
CP0379674
Compound Name
2,6-difluoro-N-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)-3-(propylsulfonylamino)benzamide
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Structure
Formula
C17H17F2N5O3S
Molecular Weight
409.418
Canonical SMILES
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(C)nc3c2)c1F
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InChI
InChI=1S/C17H17F2N5O3S/c1-3-6-28(26,27)24-12-5-4-11(18)14(15(12)19)17(25)23-10-7-13-16(20-8-10)22-9(2)21-13/h4-5,7-8,24H,3,6H2,1-2H3,(H,23,25)(H,20,21,22)
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InChIKey
HYIMLVNDPJGSTC-UHFFFAOYSA-N
Physicochemical Property
logP
2.94852
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
116.84
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
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: 44230852
SID: 85250101
ChEMBL ID
CHEMBL2436922
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 = 1710 nM
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