General Information of the Compound
Compound ID
CP0578405
Compound Name
6-(2-fluoro-6-methoxyphenyl)-1-(6-piperazin-1-ylpyridin-2-yl)pyrazolo[4,3-c]pyridine
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Formula
C22H21FN6O
Molecular Weight
404.449
Canonical SMILES
COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCNCC1
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InChI
InChI=1S/C22H21FN6O/c1-30-19-5-2-4-16(23)22(19)17-12-18-15(13-25-17)14-26-29(18)21-7-3-6-20(27-21)28-10-8-24-9-11-28/h2-7,12-14,24H,8-11H2,1H3
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InChIKey
QNWXBQUSJVHGGL-UHFFFAOYSA-N
Physicochemical Property
logP
3.0398
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
68.1
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
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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ChEMBL ID
CHEMBL4778314
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: PT01878, Mitogen-activated protein kinase kinase kinase kinase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 3.8 nM
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