NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundButyl p-tolyl sulfide
NPACT-IdNPACT00361
IUPAC3-tert-butyl-4-methoxyphenol
Synonyms4-(n-Butylthio)toluene; Sulfide, butyl p-tolyl; 4-(n-Butylthio)toluene; 1-(Butylsulfanyl)-4-methylbenzene; 4-Methyl-1-(1-thiapentyl)benzene
PubChem Id304040
ClassOrganic chemical
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyFUYIIAJEXUJNFA-UHFFFAOYSA-N
InChi1S/C11H16S/c1-3-4-9-12-11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3
SMILESS(CCCC)c1ccc(cc1)C
SMART[H]C1=C([H])C(=C([H])C([H])=C1SC([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[H]
CAS No.-
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   -
HIT   -
NCI-60 GI50 data   -
Suppliers ABI Chem, AKos Consulting & Solutions, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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