General Information of the Compound
Compound ID
CP0530925
Compound Name
3-[[5-(5-fluoro-6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzamide
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Structure
Formula
C23H19FN8O
Molecular Weight
442.458
Canonical SMILES
Cc1nc(ccc1F)-c1[nH]c(CNc2cccc(c2)C(N)=O)nc1-c1ccc2ncnn2c1
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InChI
InChI=1S/C23H19FN8O/c1-13-17(24)6-7-18(29-13)22-21(15-5-8-20-27-12-28-32(20)11-15)30-19(31-22)10-26-16-4-2-3-14(9-16)23(25)33/h2-9,11-12,26H,10H2,1H3,(H2,25,33)(H,30,31)
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InChIKey
FSKCIMXTQXGDSC-UHFFFAOYSA-N
Physicochemical Property
logP
3.33992
Rotatable Bonds
6
Heavy Atom Count
33
Polar Areas
126.88
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
33

"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: 122196360
ChEMBL ID
CHEMBL3634800
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 = 10.8 nM
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