General Information of the Compound
Compound ID
CP0148908
Compound Name
N-[3-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-4-methylphenyl]benzamide
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Structure
Formula
C23H20N4O2
Molecular Weight
384.439
Canonical SMILES
CC(=O)Nc1cn2cc(ccc2n1)-c1cc(NC(=O)c2ccccc2)ccc1C
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InChI
InChI=1S/C23H20N4O2/c1-15-8-10-19(25-23(29)17-6-4-3-5-7-17)12-20(15)18-9-11-22-26-21(24-16(2)28)14-27(22)13-18/h3-14H,1-2H3,(H,24,28)(H,25,29)
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InChIKey
CNGDXEVWDQHPJH-UHFFFAOYSA-N
Physicochemical Property
logP
4.52042
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
75.5
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 145966705
ChEMBL ID
CHEMBL4211935
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
CL000045 A-375 Homo sapiens (Human)  1
1
EC50 = 540 nM
   TI
   LI
   LO
   TS
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 61 nM
   TI
   LI
   LO
   TS