General Information of the Compound
Compound ID
CP0573422
Compound Name
6-fluoro-3-phenyl-1H-indazole
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Formula
C13H9FN2
Molecular Weight
212.227
Canonical SMILES
Fc1ccc2c(n[nH]c2c1)-c1ccccc1
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InChI
InChI=1S/C13H9FN2/c14-10-6-7-11-12(8-10)15-16-13(11)9-4-2-1-3-5-9/h1-8H,(H,15,16)
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InChIKey
VEUGAPJJAWVQQB-UHFFFAOYSA-N
Physicochemical Property
logP
3.369
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
28.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
16

"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
CHEMBL4849172
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: PT02266, Dual specificity mitogen-activated protein kinase kinase 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 310 nM
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