General Information of the Compound
Compound ID
CP0555404
Compound Name
4-[4-[6-(2-fluoro-6-methoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]phenyl]morpholine
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Formula
C23H21FN4O2
Molecular Weight
404.445
Canonical SMILES
COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1ccc(cc1)N1CCOCC1
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InChI
InChI=1S/C23H21FN4O2/c1-29-22-4-2-3-19(24)23(22)20-13-21-16(14-25-20)15-26-28(21)18-7-5-17(6-8-18)27-9-11-30-12-10-27/h2-8,13-15H,9-12H2,1H3
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InChIKey
YPAVLWBTTZJTKK-UHFFFAOYSA-N
Physicochemical Property
logP
4.0718
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
52.41
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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
CHEMBL4796740
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 = 101 nM
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