General Information of the Compound
Compound ID
CP0565914
Compound Name
1-[6-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]pyridin-2-yl]azetidin-3-amine
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Formula
C21H19FN6O
Molecular Weight
390.422
Canonical SMILES
COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1cccc(n1)N1CC(N)C1
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InChI
InChI=1S/C21H19FN6O/c1-29-18-5-2-4-15(22)21(18)16-8-17-13(9-24-16)10-25-28(17)20-7-3-6-19(26-20)27-11-14(23)12-27/h2-10,14H,11-12,23H2,1H3
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InChIKey
WJFBMSKOWHZHEN-UHFFFAOYSA-N
Physicochemical Property
logP
2.7775
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
82.09
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
29

"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
CHEMBL4743506
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 = 32 nM
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