General Information of the Compound
Compound ID
CP0395075
Compound Name
N-[4-[5-(1-oxo-3H-2-benzofuran-5-yl)thiophen-2-yl]phenyl]methanesulfonamide
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Structure
Formula
C19H15NO4S2
Molecular Weight
385.466
Canonical SMILES
CS(=O)(=O)Nc1ccc(cc1)-c1ccc(s1)-c1ccc2C(=O)OCc2c1
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InChI
InChI=1S/C19H15NO4S2/c1-26(22,23)20-15-5-2-12(3-6-15)17-8-9-18(25-17)13-4-7-16-14(10-13)11-24-19(16)21/h2-10,20H,11H2,1H3
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InChIKey
HCEYSZYRKLLAQJ-UHFFFAOYSA-N
Physicochemical Property
logP
4.124
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
72.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
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: 127029798
ChEMBL ID
CHEMBL3752189
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: PT05158, Perforin-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000001 Jurkat Homo sapiens (Human)  1
1
IC50 = 1090 nM
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   LI
   LO
   TS