General Information of the Compound
Compound ID
CP0573350
Compound Name
6-(2-fluoro-6-methoxyphenyl)-1-phenylpyrazolo[4,3-c]pyridine
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Formula
C19H14FN3O
Molecular Weight
319.339
Canonical SMILES
COc1cccc(F)c1-c1cc2n(ncc2cn1)-c1ccccc1
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InChI
InChI=1S/C19H14FN3O/c1-24-18-9-5-8-15(20)19(18)16-10-17-13(11-21-16)12-22-23(17)14-6-3-2-4-7-14/h2-12H,1H3
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InChIKey
NNESZUMSHRJLRT-UHFFFAOYSA-N
Physicochemical Property
logP
4.2352
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
39.94
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
24

"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
CHEMBL4759303
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 = 1050 nM
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