General Information of the Compound
Compound ID
CP0540350
Compound Name
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-5-sulfamoylbenzamide
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Structure
Formula
C15H13F4N3O3S
Molecular Weight
391.346
Canonical SMILES
Cc1cc(N)c(cc1C(=O)Nc1ccc(F)c(c1)C(F)(F)F)S(N)(=O)=O
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InChI
InChI=1S/C15H13F4N3O3S/c1-7-4-12(20)13(26(21,24)25)6-9(7)14(23)22-8-2-3-11(16)10(5-8)15(17,18)19/h2-6H,20H2,1H3,(H,22,23)(H2,21,24,25)
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InChIKey
NXKXRVXWIFEIMK-UHFFFAOYSA-N
Physicochemical Property
logP
2.63482
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
115.28
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
26

"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: 146301690
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 = 630 nM
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