Compound	phenethylisothiocyanate
NPACT-Id	NPACT01292
IUPAC	-
Synonyms	2-Phenylethyl isothiocyanate;Phenylethyl isothiocyanate;Phenethyl mustard oil;Phenylaethylsenfoel;2-isothiocyanatoethylbenzene;Benzene, (2-isothiocyanatoethyl)-;(2-Isothiocyanatoethyl)benzene;Phenylethyl mustard oil;beta-Phenethyl isothiocyanate;
PubChem Id	16741
Class	Organic chemical
In-vitro anticancer activity	2 cancer cell lines
In-Vivo anticancer activity	No
Targets	ERK1/2 \| All \|
Properties	Physical Elemental Topological
InChi Key	IZJDOKYDEWTZSO-UHFFFAOYSA-N
InChi	1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
SMILES	S=C=NCCc1ccccc1
SMART	[H]C1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])C([H])([H])N=C=S
CAS No.	2257-09-2
Structure Download
Cross Refrence in other databases
	Super Natural	-
	CTD	-
	HIT	-
	NCI-60 GI₅₀ data	-
Suppliers	ABBLIS Chemicals, ABI Chem, AKos Consulting & Solutions, Amadis Chemical, Ambinter, ChemExper Chemical Directory, ChemFrog, ChemMol, Enamine, Hangzhou APIChem Technology, IS Chemical Technology, MolPort, MP Biomedicals, Oakwood Products, Sigma-Aldrich, TCI (Tokyo Chemical Industry), Vitas-M Laboratory, ZINC,
Drug-Likeliness Filters	Lipinski's rule of five	Yes
	Ghose filter	Yes
	Veber filter	Yes
	Muegge Filter	No
Similarity Search	Human metabolite database	FDA approved drugs

NPACT

Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase