General Information of the Compound
Compound ID
CP0253998
Compound Name
N-[5-(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
C17H15N7O
Molecular Weight
333.355
Canonical SMILES
CC(=O)Nc1nc(c([nH]1)-c1ccc2ncnn2c1)-c1cccc(C)n1
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InChI
InChI=1S/C17H15N7O/c1-10-4-3-5-13(20-10)16-15(22-17(23-16)21-11(2)25)12-6-7-14-18-9-19-24(14)8-12/h3-9H,1-2H3,(H2,21,22,23,25)
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InChIKey
QSWBAZYLMAEIQJ-UHFFFAOYSA-N
Physicochemical Property
logP
2.44822
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
100.86
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 25195322
SID: 57304167
ChEMBL ID
CHEMBL450161
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 = 165 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 2.95 nM