General Information of the Compound
Compound ID
CP0166056
Compound Name
3-((4-(6-Methylpyridin-2-yl)-5-(quinolin-6-yl)-1H-imidazol-2-yl)methyl)benzamide
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Structure
Formula
C26H21N5O
Molecular Weight
419.488
Canonical SMILES
Cc1cccc(n1)-c1nc(Cc2cccc(c2)C(N)=O)[nH]c1-c1ccc2ncccc2c1
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InChI
InChI=1S/C26H21N5O/c1-16-5-2-9-22(29-16)25-24(19-10-11-21-18(15-19)8-4-12-28-21)30-23(31-25)14-17-6-3-7-20(13-17)26(27)32/h2-13,15H,14H2,1H3,(H2,27,32)(H,30,31)
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InChIKey
CJTQBCMGMLTHPI-UHFFFAOYSA-N
Physicochemical Property
logP
4.68502
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
97.55
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
32

"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: 46871765
SID: 99311398
ChEMBL ID
CHEMBL1164957
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: PT01221, TGF-beta receptor type-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 34 nM
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