CHEBI:128217 - 3-[4-[(8S,9R,10S)-10-(hydroxymethyl)-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-N,N-dimethylbenzamide

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ChEBI Name 3-[4-[(8S,9R,10S)-10-(hydroxymethyl)-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-N,N-dimethylbenzamide
ChEBI ID CHEBI:128217
Stars This entity has been manually annotated by a third party.
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Formula C27H34F3N3O2
Net Charge 0
Average Mass 489.574
Monoisotopic Mass 489.26031
InChI InChI=1S/C27H34F3N3O2/c1-31(2)26(35)22-7-5-6-21(16-22)19-8-10-20(11-9-19)25-23-17-32(15-12-27(28,29)30)13-3-4-14-33(23)24(25)18-34/h5-11,16,23-25,34H,3-4,12-15,17-18H2,1-2H3/t23-,24-,25-/m1/s1
InChIKey SUWVCNKGBWKVIR-UBFVSLLYSA-N
SMILES CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)[C@@H]3[C@H]4CN(CCCCN4[C@@H]3CO)CCC(F)(F)F
ChEBI Ontology
Outgoing 3-[4-[(8S,9R,10S)-10-(hydroxymethyl)-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-N,N-dimethylbenzamide (CHEBI:128217) is a biphenyls (CHEBI:22888)
Manual Xref Database
LSM-39772 LINCS
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