General Information of the Compound
Compound ID
CP0543210
Compound Name
4-fluoro-3-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide
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Structure
Formula
C13H8F4N2O3S
Molecular Weight
348.277
Canonical SMILES
NS(=O)(=O)c1cc(ccc1F)C(=O)Nc1cc(F)c(F)c(F)c1
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InChI
InChI=1S/C13H8F4N2O3S/c14-8-2-1-6(3-11(8)23(18,21)22)13(20)19-7-4-9(15)12(17)10(16)5-7/h1-5H,(H,19,20)(H2,18,21,22)
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InChIKey
VPGNRDBUPFZGAX-UHFFFAOYSA-N
Physicochemical Property
logP
2.1427
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
89.26
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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PubChem ID
CID: 146301518
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 = 2400 nM
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