General Information of the Compound
Compound ID
CP0482458
Compound Name
2,6-difluoro-N-[2-(4-methylphenyl)-1H-imidazo[4,5-b]pyridin-6-yl]-3-(propylsulfonylamino)benzamide
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Structure
Formula
C23H21F2N5O3S
Molecular Weight
485.516
Canonical SMILES
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]c(nc3c2)-c2ccc(C)cc2)c1F
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InChI
InChI=1S/C23H21F2N5O3S/c1-3-10-34(32,33)30-17-9-8-16(24)19(20(17)25)23(31)27-15-11-18-22(26-12-15)29-21(28-18)14-6-4-13(2)5-7-14/h4-9,11-12,30H,3,10H2,1-2H3,(H,27,31)(H,26,28,29)
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InChIKey
RJMVTZVGTAANND-UHFFFAOYSA-N
Physicochemical Property
logP
4.61552
Rotatable Bonds
7
Heavy Atom Count
34
Polar Areas
116.84
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
34

"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: 44231120
SID: 85250360
ChEMBL ID
CHEMBL2436790
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 = 49 nM
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