General Information of the Compound
Compound ID
CP0575990
Compound Name
4-amino-N-(3-cyano-4-fluorophenyl)-3-sulfamoylbenzamide
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Structure
Formula
C14H11FN4O3S
Molecular Weight
334.332
Canonical SMILES
Nc1ccc(cc1S(N)(=O)=O)C(=O)Nc1ccc(F)c(c1)C#N
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InChI
InChI=1S/C14H11FN4O3S/c15-11-3-2-10(5-9(11)7-16)19-14(20)8-1-4-12(17)13(6-8)23(18,21)22/h1-6H,17H2,(H,19,20)(H2,18,21,22)
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InChIKey
XMSXUNXOLVCFSM-UHFFFAOYSA-N
Physicochemical Property
logP
1.17928
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
139.07
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
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: 146301377
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 = 1310 nM
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