General Information of the Compound
Compound ID
CP0156809
Compound Name
2-[[6-bromo-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-methylbenzamide
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Structure
Formula
C20H15BrFN5O
Molecular Weight
440.276
Canonical SMILES
CNC(=O)c1ccccc1Nc1c(Br)cnc2nc([nH]c12)-c1ccc(F)cc1
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InChI
InChI=1S/C20H15BrFN5O/c1-23-20(28)13-4-2-3-5-15(13)25-16-14(21)10-24-19-17(16)26-18(27-19)11-6-8-12(22)9-7-11/h2-10H,1H3,(H,23,28)(H2,24,25,26,27)
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InChIKey
YGBBFQIVPKSHOI-UHFFFAOYSA-N
Physicochemical Property
logP
4.6297
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
82.7
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
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: 71277570
SID: 163491732
ChEMBL ID
CHEMBL2315571
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: PT01141, Focal adhesion kinase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000007 HT-29 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 170 nM
2 Kd = 127 nM