General Information of the Compound
Compound ID
CP0473107
Compound Name
4-chloro-2-[[2-(2-chlorophenoxy)acetyl]amino]-N-cyclopropylsulfonylbenzamide
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Structure
Formula
C18H16Cl2N2O5S
Molecular Weight
443.308
Canonical SMILES
Clc1ccc(C(=O)NS(=O)(=O)C2CC2)c(NC(=O)COc2ccccc2Cl)c1
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InChI
InChI=1S/C18H16Cl2N2O5S/c19-11-5-8-13(18(24)22-28(25,26)12-6-7-12)15(9-11)21-17(23)10-27-16-4-2-1-3-14(16)20/h1-5,8-9,12H,6-7,10H2,(H,21,23)(H,22,24)
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InChIKey
WKLHDZQIYQJTDR-UHFFFAOYSA-N
Physicochemical Property
logP
3.2329
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
101.57
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
28

"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: 155519256
ChEMBL ID
CHEMBL4447880
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: PT05546, Transient receptor potential cation channel subfamily M member 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2800 nM
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