
 CHEMBL355387

 80 85  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL355387

>  <PubChem CID>
44382140

>  <Formula>
C33H37FN2O6S

>  <Molecular Weight>
608.725000

>  <IUPAC Name>
[(5R)-5-(4-fluorophenyl)-5-[2-(2-oxospiro[1H-2-benzothiophene-3,4'-piperidine]-1'-yl)ethyl]-1,3-oxazolidin-3-yl]-(3,4,5-trimethoxyphenyl)methanone

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)N2CC(OC2)(CCN3CCC4(CC3)C5=CC=CC=C5CS4=O)C6=CC=C(C=C6)F

>  <Isomeric SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)N2C[C@@](OC2)(CCN3CCC4(CC3)C5=CC=CC=C5CS4=O)C6=CC=C(C=C6)F

>  <InChI Std. ID>
InChI=1S/C33H37FN2O6S/c1-39-28-18-24(19-29(40-2)30(28)41-3)31(37)36-21-32(42-22-36,25-8-10-26(34)11-9-25)12-15-35-16-13-33(14-17-35)27-7-5-4-6-23(27)20-43(33)38/h4-11,18-19H,12-17,20-22H2,1-3H3/t32-,43?/m0/s1

>  <InChI Key>
GAIQLSPNSILBOM-HYXMPAGBSA-N

