General Information of the Compound
Compound ID
CP0378152
Compound Name
2-(4-tert-Butyl-phenyl)-N-hydroxy-N-(4-methanesulfonylamino-benzyl)-acetamide
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Structure
Formula
C20H26N2O4S
Molecular Weight
390.505
Canonical SMILES
CC(C)(C)c1ccc(CC(=O)N(O)Cc2ccc(NS(C)(=O)=O)cc2)cc1
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InChI
InChI=1S/C20H26N2O4S/c1-20(2,3)17-9-5-15(6-10-17)13-19(23)22(24)14-16-7-11-18(12-8-16)21-27(4,25)26/h5-12,21,24H,13-14H2,1-4H3
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InChIKey
WEOSFVGEHCCELY-UHFFFAOYSA-N
Physicochemical Property
logP
3.3161
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
86.71
Hydrogen Bond Donor Count
2
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: 10385730
SID: 15401174
ChEMBL ID
CHEMBL186114
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: PT01914, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 1960 nM
   TI
   LI
   LO
   TS
2
Ki = 5300 nM
   TI
   LI
   LO
   TS