MetaADEDB 2.0 @ LMMD
3-(4-methylphenylsulfonyl)-2-propenenitrile
(DOEWDSDBFRHVAP-KRXBUXKQSA-N)
Structure
SMILES
N#C/C=C/S(=O)(=O)c1ccc(cc1)C
Molecular Formula:
C10H9NO2S
Molecular Weight:
207.249
Log P:
2.8868
Hydrogen Bond Acceptor:
3
Hydrogen Bond Donor:
0
TPSA:
66.31
CAS Number(s):
19542-67-7
Synonym(s)
1.
3-(4-methylphenylsulfonyl)-2-propenenitrile
2.
BAY 11-7082
3.
BAY-11-7082
4.
BAY-117082
5.
BAY11 compound
6.
BAY11-7082
7.
BAY117082
External Link(s)
MeSHC434003
PubChem Compound5353431
BindingDB50372524
ChEBI92270
85928
CHEMBLCHEMBL403183
IUPHAR/BPS Guide to PHARMACOLOGY5934
Therapeutic Target DatabaseD0L2XO
ZINC2568458
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Neoplasm Invasiveness22261521
26514923		CTD
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