General Information of the Compound
Compound ID
CP0402004
Compound Name
2-[3-(6-methylpyridin-2-yl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]-N-phenylacetamide
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Structure
Formula
C24H19N5OS
Molecular Weight
425.517
Canonical SMILES
Cc1cccc(n1)-c1nn(CC(=O)Nc2ccccc2)cc1-c1cc2cnccc2s1
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InChI
InChI=1S/C24H19N5OS/c1-16-6-5-9-20(26-16)24-19(22-12-17-13-25-11-10-21(17)31-22)14-29(28-24)15-23(30)27-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,27,30)
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InChIKey
YVABZJGVIULAAE-UHFFFAOYSA-N
Physicochemical Property
logP
5.16892
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
72.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
31

"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: 155553747
ChEMBL ID
CHEMBL4576703
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 = 39 nM
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