General Information of the Compound
Compound ID
CP0435349
Compound Name
N-(2-fluorophenyl)-2-[3-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazol-1-yl]acetamide
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Structure
Formula
C23H18FN7O
Molecular Weight
427.443
Canonical SMILES
Cc1cccc(n1)-c1nn(CC(=O)Nc2ccccc2F)cc1-c1ccc2ncnn2c1
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InChI
InChI=1S/C23H18FN7O/c1-15-5-4-8-20(27-15)23-17(16-9-10-21-25-14-26-31(21)11-16)12-30(29-23)13-22(32)28-19-7-3-2-6-18(19)24/h2-12,14H,13H2,1H3,(H,28,32)
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InChIKey
CBMSONXQCKJZMA-UHFFFAOYSA-N
Physicochemical Property
logP
3.74102
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
90
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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: 90656196
ChEMBL ID
CHEMBL3261092
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 = 85 nM
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