CMap Candidate Details

Structure:
CMap ID: C31886
Pert ID: BRD-K92977333
Compound Name: entacapone
Targets: COMT
MoA: Catechol O methyltransferase inhibitor
SMILES: CCN(CC)C(=O)C(=Cc1cc(O)c(O)c(c1)[N+]([O-])=O)C#N
InchiKey: JRURYQJSLYLRLN-UHFFFAOYSA-N
Compound Aliases: --