General Information of the Compound
Compound ID
CP0851740
Compound Name
4-(N-thiazol-2-ylsulfamoyl)-N-(4-(trifluoromethoxy)benzyl)benzamide
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Structure
Formula
C18H14F3N3O4S2
Molecular Weight
457.455
Canonical SMILES
O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(S(=O)(=O)Nc2nccs2)cc1
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InChI
InChI=1S/C18H14F3N3O4S2/c19-18(20,21)28-14-5-1-12(2-6-14)11-23-16(25)13-3-7-15(8-4-13)30(26,27)24-17-22-9-10-29-17/h1-10H,11H2,(H,22,24)(H,23,25)
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InChIKey
KJLODJGQAIHSCK-UHFFFAOYSA-N
Physicochemical Property
logP
3.7725
Rotatable Bonds
7
Heavy Atom Count
30
Polar Areas
97.39
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
30

"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: 87488556
ChEMBL ID
CHEMBL4292031
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: PT03042, Sodium channel protein type 3 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 197 nM
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