General Information of the Compound
Compound ID
CP0523314
Compound Name
N-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
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Structure
Formula
C20H25N3O3S
Molecular Weight
387.505
Canonical SMILES
CC(C)N1CCN(CC1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1
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InChI
InChI=1S/C20H25N3O3S/c1-16(2)22-12-14-23(15-13-22)27(25,26)19-10-8-18(9-11-19)21-20(24)17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,21,24)
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InChIKey
AEEYORYVZURZQF-UHFFFAOYSA-N
Physicochemical Property
logP
2.6536
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
69.72
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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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PubChem ID
CID: 122189178
ChEMBL ID
CHEMBL3613625
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 = 4300 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 = 8530 nM
   TI
   LI
   LO
   TS