General Information of the Compound
Compound ID
CP0575989
Compound Name
4-(methylamino)-3-sulfamoyl-N-(3,4,5-trifluorophenyl)benzamide
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Structure
Formula
C14H12F3N3O3S
Molecular Weight
359.329
Canonical SMILES
CNc1ccc(cc1S(N)(=O)=O)C(=O)Nc1cc(F)c(F)c(F)c1
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InChI
InChI=1S/C14H12F3N3O3S/c1-19-11-3-2-7(4-12(11)24(18,22)23)14(21)20-8-5-9(15)13(17)10(16)6-8/h2-6,19H,1H3,(H,20,21)(H2,18,22,23)
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InChIKey
LKQRCZYRSLGHKN-UHFFFAOYSA-N
Physicochemical Property
logP
2.0453
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
101.29
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: 146301466
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 = 6680 nM
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