General Information of the Compound
Compound ID
CP0481341
Compound Name
4-[benzyl-(3,5-dichloropyridin-2-yl)sulfamoyl]benzoic acid
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Structure
Formula
C19H14Cl2N2O4S
Molecular Weight
437.304
Canonical SMILES
OC(=O)c1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ncc(Cl)cc1Cl
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InChI
InChI=1S/C19H14Cl2N2O4S/c20-15-10-17(21)18(22-11-15)23(12-13-4-2-1-3-5-13)28(26,27)16-8-6-14(7-9-16)19(24)25/h1-11H,12H2,(H,24,25)
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InChIKey
MFRWTEQLBKUFJW-UHFFFAOYSA-N
Physicochemical Property
logP
4.4821
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
87.57
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
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: 49784184
SID: 103056789
ChEMBL ID
CHEMBL3353579
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: PT03065, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 201 nM
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