General Information of the Compound
Compound ID
CP0575992
Compound Name
4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-5-sulfamoylbenzamide
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Structure
Formula
C14H13ClFN3O3S
Molecular Weight
357.794
Canonical SMILES
Cc1cc(N)c(cc1C(=O)Nc1ccc(F)c(Cl)c1)S(N)(=O)=O
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InChI
InChI=1S/C14H13ClFN3O3S/c1-7-4-12(17)13(23(18,21)22)6-9(7)14(20)19-8-2-3-11(16)10(15)5-8/h2-6H,17H2,1H3,(H,19,20)(H2,18,21,22)
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InChIKey
USRWLCMXAWUTJD-UHFFFAOYSA-N
Physicochemical Property
logP
2.26942
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
115.28
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
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: 146301672
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 = 50 nM
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