General Information of the Compound
Compound ID
CP0546432
Compound Name
N-(3,4-dichlorophenyl)-3-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
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Formula
C19H12Cl2FN3O2S
Molecular Weight
436.295
Canonical SMILES
Fc1ccc2c(n[nH]c2c1)-c1cccc(c1)S(=O)(=O)Nc1ccc(Cl)c(Cl)c1
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InChI
InChI=1S/C19H12Cl2FN3O2S/c20-16-7-5-13(10-17(16)21)25-28(26,27)14-3-1-2-11(8-14)19-15-6-4-12(22)9-18(15)23-24-19/h1-10,25H,(H,23,24)
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InChIKey
CZMAIXRWZGPJTJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.4766
Rotatable Bonds
4
Heavy Atom Count
28
Polar Areas
74.85
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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
CHEMBL4865491
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 = 1600 nM
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