General Information of the Compound
Compound ID
CP0562902
Compound Name
1-[4-(4-methylpiperazin-1-yl)phenyl]-6-phenylpyrazolo[4,3-c]pyridine
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Formula
C23H23N5
Molecular Weight
369.472
Canonical SMILES
CN1CCN(CC1)c1ccc(cc1)-n1ncc2cnc(cc12)-c1ccccc1
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InChI
InChI=1S/C23H23N5/c1-26-11-13-27(14-12-26)20-7-9-21(10-8-20)28-23-15-22(18-5-3-2-4-6-18)24-16-19(23)17-25-28/h2-10,15-17H,11-14H2,1H3
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InChIKey
TUXNIHLICMWFSI-UHFFFAOYSA-N
Physicochemical Property
logP
3.8393
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
37.19
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
28

"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
CHEMBL4788183
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 = 826 nM
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