General Information of the Compound
Compound ID
CP0483617
Compound Name
4-[(4-acetamidophenyl)methyl-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfamoyl]benzoic acid
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Structure
Formula
C22H17ClF3N3O5S
Molecular Weight
527.908
Canonical SMILES
CC(=O)Nc1ccc(CN(c2ncc(cc2Cl)C(F)(F)F)S(=O)(=O)c2ccc(cc2)C(O)=O)cc1
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InChI
InChI=1S/C22H17ClF3N3O5S/c1-13(30)28-17-6-2-14(3-7-17)12-29(20-19(23)10-16(11-27-20)22(24,25)26)35(33,34)18-8-4-15(5-9-18)21(31)32/h2-11H,12H2,1H3,(H,28,30)(H,31,32)
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InChIKey
OJPQDNHGSBTGJE-UHFFFAOYSA-N
Physicochemical Property
logP
4.8059
Rotatable Bonds
7
Heavy Atom Count
35
Polar Areas
116.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
35

"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: 118719636
ChEMBL ID
CHEMBL3353604
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 = 18216 nM
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