General Information of the Compound
Compound ID
CP0547858
Compound Name
4-amino-2-chloro-5-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide
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Structure
Formula
C13H9ClF3N3O3S
Molecular Weight
379.747
Canonical SMILES
Nc1cc(Cl)c(cc1S(N)(=O)=O)C(=O)Nc1cc(F)c(F)c(F)c1
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InChI
InChI=1S/C13H9ClF3N3O3S/c14-7-4-10(18)11(24(19,22)23)3-6(7)13(21)20-5-1-8(15)12(17)9(16)2-5/h1-4H,18H2,(H,20,21)(H2,19,22,23)
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InChIKey
LXGLELFFSYXAND-UHFFFAOYSA-N
Physicochemical Property
logP
2.2392
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
115.28
Hydrogen Bond Donor Count
3
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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PubChem ID
CID: 146301488
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: PT00295, Capsid protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000628 HepAD38 Homo sapiens (Human)  1
1
EC50 = 360 nM
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