CHEBI:104068 - 2-[2-[4-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione

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ChEBI Name 2-[2-[4-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione
ChEBI ID CHEBI:104068
Stars This entity has been manually annotated by a third party.
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Formula C30H33N3O4
Net Charge 0
Average Mass 499.602
Monoisotopic Mass 499.24711
InChI InChI=1S/C30H33N3O4/c1-2-7-22-8-3-4-13-27(22)37-21-24(34)20-32-16-14-31(15-17-32)18-19-33-29(35)25-11-5-9-23-10-6-12-26(28(23)25)30(33)36/h2-6,8-13,24,34H,1,7,14-21H2
InChIKey YRMGKUZRKWDWIE-UHFFFAOYSA-N
SMILES C=CCC1=CC=CC=C1OCC(CN2CCN(CC2)CCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O
ChEBI Ontology
Outgoing 2-[2-[4-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione (CHEBI:104068) is a isoquinolines (CHEBI:24922)
Manual Xref Database
LSM-15426 LINCS
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