General Information of the Compound
Compound ID
CP0490128
Compound Name
2-fluoro-N-[[4-(6-methylpyridin-2-yl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline
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Structure
Formula
C23H18FN5S
Molecular Weight
415.497
Canonical SMILES
Cc1cccc(n1)-c1[nH]c(CNc2ccccc2F)nc1-c1cc2cnccc2s1
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InChI
InChI=1S/C23H18FN5S/c1-14-5-4-8-18(27-14)22-23(20-11-15-12-25-10-9-19(15)30-20)29-21(28-22)13-26-17-7-3-2-6-16(17)24/h2-12,26H,13H2,1H3,(H,28,29)
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InChIKey
WZONCVUKEIUAND-UHFFFAOYSA-N
Physicochemical Property
logP
5.80802
Rotatable Bonds
5
Heavy Atom Count
30
Polar Areas
66.49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
30

"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: 155540083
ChEMBL ID
CHEMBL4516224
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 = 23 nM
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