General Information of the Compound
Compound ID
CP0451139
Compound Name
N-[3-(6-fluoro-1H-indazol-3-yl)phenyl]cyclopropanesulfonamide
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Formula
C16H14FN3O2S
Molecular Weight
331.372
Canonical SMILES
Fc1ccc2c(n[nH]c2c1)-c1cccc(NS(=O)(=O)C2CC2)c1
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InChI
InChI=1S/C16H14FN3O2S/c17-11-4-7-14-15(9-11)18-19-16(14)10-2-1-3-12(8-10)20-23(21,22)13-5-6-13/h1-4,7-9,13,20H,5-6H2,(H,18,19)
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InChIKey
JFRAZLUJHDWIPL-UHFFFAOYSA-N
Physicochemical Property
logP
3.2731
Rotatable Bonds
4
Heavy Atom Count
23
Polar Areas
74.85
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
23

"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
CHEMBL4871178
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 = 2500 nM
   TI
   LI
   LO
   TS
Protein ID: PT02293, Dual specificity mitogen-activated protein kinase kinase 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 6400 nM
   TI
   LI
   LO
   TS