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Drug Details

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Name:DB03336
PubChem ID:4369285
Pathway:Show KEGG pathways
InChI:InChI=1/C20H20F3N3O5/c21-20(22,23)14-2-1-3-15(12-14)25-8-6-24(7-9-25)5-4-17(27)13-10-16(26(30)31)19(29)18(28)11-13/h1-3,10-12,28-29H,4-9H2
SMILES:c1cc(cc(c1)N1CCN(CCC(c2cc(c(c(c2)O)O)N(=O)=O)=O)CC1)C(F)(F)F

Properties:
Formula:C20H20F3N3O5Atoms:31
Molecular Weight:439.385Rotatable Bonds:7
H-bond Acceptors:9H-bond Donors:0
logP:3.9459
Targets:
NameUniprot IDSourceReferencesInteraction
Catechol O-methyltransferaseCOMT_RATDrugBank-shows
Synonyms:
1-(3,4-dihydroxy-5-nitro-phenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin
1-(3,4-dihydroxy-5-nitrophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
1h1d
AC1N9ZVE
BIA
CHEBI:41173
CHEMBL387347
CID4369285
DB03336