General Information of the Compound
Compound ID
CP0555403
Compound Name
6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyridin-2-amine
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Formula
C18H14FN5O
Molecular Weight
335.342
Canonical SMILES
COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1cccc(N)n1
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InChI
InChI=1S/C18H14FN5O/c1-25-15-5-2-4-12(19)18(15)13-8-14-11(9-21-13)10-22-24(14)17-7-3-6-16(20)23-17/h2-10H,1H3,(H2,20,23)
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InChIKey
COEYBYRZCBPFHU-UHFFFAOYSA-N
Physicochemical Property
logP
3.2124
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
78.85
Hydrogen Bond Donor Count
1
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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ChEMBL ID
CHEMBL4784231
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 = 518 nM
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