General Information of the Compound
Compound ID
CP0235343
Compound Name
N-[5-(5-fluoro-6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]acetamide
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Structure
Formula
C17H14FN7O
Molecular Weight
351.345
Canonical SMILES
CC(=O)Nc1nc(c([nH]1)-c1ccc2ncnn2c1)-c1ccc(F)c(C)n1
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InChI
InChI=1S/C17H14FN7O/c1-9-12(18)4-5-13(21-9)16-15(23-17(24-16)22-10(2)26)11-3-6-14-19-8-20-25(14)7-11/h3-8H,1-2H3,(H2,22,23,24,26)
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InChIKey
CLWJRULKTFGNLL-UHFFFAOYSA-N
Physicochemical Property
logP
2.58732
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
100.86
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 44570785
ChEMBL ID
CHEMBL517068
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
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 111 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 2.07 nM