General Information of the Compound
Compound ID
CP0469775
Compound Name
3-((5-(6-Methylpyridin-2-yl)-4-(1,5-naphthyridin-2-yl)-1H-imidazol-2-yl)methyl)benzamide
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Structure
Formula
C25H20N6O
Molecular Weight
420.476
Canonical SMILES
Cc1cccc(n1)-c1[nH]c(Cc2cccc(c2)C(N)=O)nc1-c1ccc2ncccc2n1
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InChI
InChI=1S/C25H20N6O/c1-15-5-2-8-20(28-15)23-24(21-11-10-18-19(29-21)9-4-12-27-18)31-22(30-23)14-16-6-3-7-17(13-16)25(26)32/h2-13H,14H2,1H3,(H2,26,32)(H,30,31)
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InChIKey
PJMPKQWVPZMLKT-UHFFFAOYSA-N
Physicochemical Property
logP
4.08002
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
110.44
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 46907074
ChEMBL ID
CHEMBL1165041
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 = 2600 nM
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