3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
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![3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1f9051257b264092bcd9a34b3e497cbd.png "3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid")
3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
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CAS No:
136668-42-3
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Formula:
C34H35ClN2O3S
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Chemical Name:
3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
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Synonyms:
3-[1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)-3-tert-butylsulfanyl-indol-2-yl]-2,2-dimethyl-propanoic acid; Quiflapon; 3-[3-(1,1-dimethylethylthio)-5-(quinolin-2-ylmethoxy)-1-(4-chlorophenylmethyl)indol-2-yl]-2,2-methylpropionic acid; 3-[3-(1,1-dimethylethylthio)-5-(quinolin-2-ylmethoxy)-1-(4-chlorophenylmethyl)indol-2-yl]-2,2-dimethylpropionic acid; Quiflapon [INN]; 3-[N-(p-chlorobenzyl)-3-(t-butylthio)-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid; MK 0591;Expand
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CAS No:
3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid Basic Attributes
587.17100
586.2056919 g/mol
9295C885I4
DTXSID20159882
Drug Information
Compounds that bind to and inhibit the action of 5-LIPOXYGENASE-ACTIVATING PROTEINS. (See all compounds classified as 5-Lipoxygenase-Activating Protein Inhibitors.)
1H-Indole-2-propanoic acid, 1-((4-chlorophenyl)methyl)-3-((1,1-dimethylethyl)thio)-alpha,alpha-dimethyl-5-(2-quinolinylmethoxy)-
Computed Properties
Molecular Weight:587.2
XLogP3:8.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:586.2056919
Monoisotopic Mass:586.2056919
Topological Polar Surface Area:89.6
Heavy Atom Count:41
Complexity:873
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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