
 CHEMBL125001

 59 63  0  0  0  0  0  0  0  0999 V2000
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    3.0419   -4.0962    2.3286 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL125001

>  <PubChem CID>
10002284

>  <Formula>
C25H28FN3O2

>  <Molecular Weight>
421.516000

>  <IUPAC Name>
8-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-[(2-methylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=CC=C1CN2CC3(CCN(CC3)CCC4=CNC5=C4C=C(C=C5)F)OC2=O

>  <Isomeric SMILES>
CC1=CC=CC=C1CN2CC3(CCN(CC3)CCC4=CNC5=C4C=C(C=C5)F)OC2=O

>  <InChI Std. ID>
InChI=1S/C25H28FN3O2/c1-18-4-2-3-5-20(18)16-29-17-25(31-24(29)30)9-12-28(13-10-25)11-8-19-15-27-23-7-6-21(26)14-22(19)23/h2-7,14-15,27H,8-13,16-17H2,1H3

>  <InChI Key>
FATAFVXRPPSVMH-UHFFFAOYSA-N

