General Information of the Compound
Compound ID
CP0560193
Compound Name
3-methyl-N-[[4-(1-methylindazol-5-yl)-5-(6-methylpyridin-2-yl)-1H-imidazol-2-yl]methyl]aniline
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Formula
C25H24N6
Molecular Weight
408.509
Canonical SMILES
Cc1cccc(NCc2nc(c([nH]2)-c2cccc(C)n2)-c2ccc3n(C)ncc3c2)c1
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InChI
InChI=1S/C25H24N6/c1-16-6-4-8-20(12-16)26-15-23-29-24(25(30-23)21-9-5-7-17(2)28-21)18-10-11-22-19(13-18)14-27-31(22)3/h4-14,26H,15H2,1-3H3,(H,29,30)
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InChIKey
LEYBPKZGESRTRA-UHFFFAOYSA-N
Physicochemical Property
logP
5.25434
Rotatable Bonds
5
Heavy Atom Count
31
Polar Areas
71.42
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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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ChEMBL ID
CHEMBL4788508
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 = 10 nM
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