General Information of the Compound
Compound ID
CP0568761
Compound Name
4-amino-N-[3-(difluoromethyl)-4-fluorophenyl]-3-sulfamoylbenzamide
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Structure
Formula
C14H12F3N3O3S
Molecular Weight
359.329
Canonical SMILES
Nc1ccc(cc1S(N)(=O)=O)C(=O)Nc1ccc(F)c(c1)C(F)F
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InChI
InChI=1S/C14H12F3N3O3S/c15-10-3-2-8(6-9(10)13(16)17)20-14(21)7-1-4-11(18)12(5-7)24(19,22)23/h1-6,13H,18H2,(H,20,21)(H2,19,22,23)
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InChIKey
SHVGTHOGGILHCQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.2452
Rotatable Bonds
4
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: 146301314
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 = 130 nM
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