General Information of the Compound
Compound ID
CP0572581
Compound Name
6-(2,6-dimethylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[4,3-c]pyridine
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Formula
C25H27N5
Molecular Weight
397.526
Canonical SMILES
CN1CCN(CC1)c1ccc(cc1)-n1ncc2cnc(cc12)-c1c(C)cccc1C
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InChI
InChI=1S/C25H27N5/c1-18-5-4-6-19(2)25(18)23-15-24-20(16-26-23)17-27-30(24)22-9-7-21(8-10-22)29-13-11-28(3)12-14-29/h4-10,15-17H,11-14H2,1-3H3
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InChIKey
BGLXYSOOOYIUHF-UHFFFAOYSA-N
Physicochemical Property
logP
4.45614
Rotatable Bonds
3
Heavy Atom Count
30
Polar Areas
37.19
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
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
CHEMBL4798403
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 = 284 nM
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