General Information of the Compound
Compound ID
CP0572580
Compound Name
6-(2-ethoxy-6-fluorophenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine
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Formula
C25H26FN5O
Molecular Weight
431.515
Canonical SMILES
CCOc1cccc(F)c1-c1cc2n(ncc2cn1)-c1ccc(cc1)N1CCN(C)CC1
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InChI
InChI=1S/C25H26FN5O/c1-3-32-24-6-4-5-21(26)25(24)22-15-23-18(16-27-22)17-28-31(23)20-9-7-19(8-10-20)30-13-11-29(2)12-14-30/h4-10,15-17H,3,11-14H2,1-2H3
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InChIKey
ZFVVLRKGBSGQGQ-UHFFFAOYSA-N
Physicochemical Property
logP
4.3771
Rotatable Bonds
5
Heavy Atom Count
32
Polar Areas
46.42
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Complexity
32

"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
CHEMBL4783606
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 = 557 nM
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