General Information of the Compound
Compound ID
CP0220430
Compound Name
4-[(3-phenyl-4-thiophen-2-yl-1,3-thiazol-2-ylidene)amino]benzenesulfonamide
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Formula
C19H15N3O2S3
Molecular Weight
413.549
Canonical SMILES
NS(=O)(=O)c1ccc(cc1)\N=c1/scc(-c2cccs2)n1-c1ccccc1
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InChI
InChI=1S/C19H15N3O2S3/c20-27(23,24)16-10-8-14(9-11-16)21-19-22(15-5-2-1-3-6-15)17(13-26-19)18-7-4-12-25-18/h1-13H,(H2,20,23,24)/b21-19-
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InChIKey
FRVIHPRXADRXCS-VZCXRCSSSA-N
Physicochemical Property
logP
4.1471
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
77.45
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
27

"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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ChEMBL ID
CHEMBL4279217
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: PT00901, Prostaglandin G/H synthase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000012 Sf21 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 12610 nM
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