NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundS-allylcysteine
NPACT-IdNPACT00932
IUPAC2-amino-3-prop-2-enylsulfanylpropanoic acid
SynonymsL-Cysteine;S-2-propenyl-
PubChem Id98280
ClassAminoacids and peptides
In-vitro anticancer activity 2 cancer cell lines
In-Vivo anticancer activity No
TargetsNFKB1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyZFAHNWWNDFHPOH-UHFFFAOYSA-N
InChi1S/C6H11NO2S/c1-2-3-10-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)
SMILESS(C[C@H](N)C(=O)O)CC=C
SMART[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])SC([H])([H])C([H])=C(/[H])[H]
CAS No.21593-77-1
Structure
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Cross Refrence in other databases
Super Natural   -
CTD   C065299
HIT   -
NCI-60 GI50 data   -
Suppliers AAA Chemistry, ABI Chem, AKos Consulting & Solutions, ChemFrog, MP Biomedicals, 
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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