General Information of the Compound
Compound ID
CP0555699
Compound Name
3-(6-fluoro-1H-indazol-3-yl)-N-(4-fluorophenyl)benzenesulfonamide
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Formula
C19H13F2N3O2S
Molecular Weight
385.395
Canonical SMILES
Fc1ccc(NS(=O)(=O)c2cccc(c2)-c2n[nH]c3cc(F)ccc23)cc1
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InChI
InChI=1S/C19H13F2N3O2S/c20-13-4-7-15(8-5-13)24-27(25,26)16-3-1-2-12(10-16)19-17-9-6-14(21)11-18(17)22-23-19/h1-11,24H,(H,22,23)
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InChIKey
DFMYKJOMQJVLTR-UHFFFAOYSA-N
Physicochemical Property
logP
4.3089
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
74.85
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
27

"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
CHEMBL4850634
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 = 880 nM
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