NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
a
CompoundSulforaphane
NPACT-IdNPACT00963
IUPAC1-isothiocyanato-4-methylsulfinylbutane
Synonymssulforaphane;DL-Sulforaphane;1-Isothiocyanato-4-(methylsulfinyl)butane
PubChem Id5350
ClassOrganic chemical
In-vitro anticancer activity 3 cancer cell lines
In-Vivo anticancer activity Yes
TargetsCDKN1A | UGT1A |   All | 
Properties Physical   Elemental  Topological
InChi KeySUVMJBTUFCVSAD-UHFFFAOYSA-N
InChi1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3
SMILES[S@](=O)(CCCCN=C=S)C
SMART[H]C([H])([H])[S@@](=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])N=C=S
CAS No.4478-93-7
Structure
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Cross Refrence in other databases
Super Natural   004478937
CTD   C016766
HIT   -
NCI-60 GI50 data   -
Suppliers NA, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   No
Veber filter   Yes
Muegge Filter   No
Similarity SearchHuman metabolite databaseFDA approved drugs

 






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