General Information of the Compound
Compound ID
CP0471665
Compound Name
N-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]-4-(trifluoromethyl)benzenesulfonamide
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Structure
Formula
C20H24F3N3O4S2
Molecular Weight
491.557
Canonical SMILES
CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)cc1
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InChI
InChI=1S/C20H24F3N3O4S2/c1-15(2)25-11-13-26(14-12-25)32(29,30)19-9-5-17(6-10-19)24-31(27,28)18-7-3-16(4-8-18)20(21,22)23/h3-10,15,24H,11-14H2,1-2H3
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InChIKey
KPSDYCNOHQFWBV-UHFFFAOYSA-N
Physicochemical Property
logP
3.2209
Rotatable Bonds
6
Heavy Atom Count
32
Polar Areas
86.79
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 122189182
ChEMBL ID
CHEMBL3613631
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: PT04567, Transient receptor potential cation channel subfamily V member 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT03081, Transient receptor potential cation channel subfamily V member 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS