General Information of the Compound
Compound ID
CP0575480
Compound Name
4-amino-N-(4-fluoro-3-methylphenyl)-3-sulfamoylbenzamide
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Structure
Formula
C14H14FN3O3S
Molecular Weight
323.349
Canonical SMILES
Cc1cc(NC(=O)c2ccc(N)c(c2)S(N)(=O)=O)ccc1F
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InChI
InChI=1S/C14H14FN3O3S/c1-8-6-10(3-4-11(8)15)18-14(19)9-2-5-12(16)13(7-9)22(17,20)21/h2-7H,16H2,1H3,(H,18,19)(H2,17,20,21)
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InChIKey
ZMBCYPMZGZXRBD-UHFFFAOYSA-N
Physicochemical Property
logP
1.61602
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
115.28
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 146301374
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 = 160 nM
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