General Information of the Compound
Compound ID
CP0572582
Compound Name
6-(4-methoxypyridin-3-yl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine
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Formula
C23H24N6O
Molecular Weight
400.486
Canonical SMILES
COc1ccncc1-c1cc2n(ncc2cn1)-c1ccc(cc1)N1CCN(C)CC1
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InChI
InChI=1S/C23H24N6O/c1-27-9-11-28(12-10-27)18-3-5-19(6-4-18)29-22-13-21(25-14-17(22)15-26-29)20-16-24-8-7-23(20)30-2/h3-8,13-16H,9-12H2,1-2H3
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InChIKey
GQDUXTVFGFQAAL-UHFFFAOYSA-N
Physicochemical Property
logP
3.2429
Rotatable Bonds
4
Heavy Atom Count
30
Polar Areas
59.31
Hydrogen Bond Donor Count
0
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
CHEMBL4756863
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 = 120 nM
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