
 SCHEMBL4529392

 55 59  0  0  0  0  0  0  0  0999 V2000
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    6.3140    3.1836    1.8929 C   0  0  0  0  0
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    7.8184    4.6498   -0.7883 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL4529392

>  <PubChem CID>
69080124

>  <Formula>
C27H24N2OS

>  <Molecular Weight>
424.562000

>  <IUPAC Name>
1-[[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-5-(2-phenylphenyl)pyrrolidin-2-one

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=NC(=CS1)C2=CC(=CC=C2)CN3C(CCC3=O)C4=CC=CC=C4C5=CC=CC=C5

>  <Isomeric SMILES>
CC1=NC(=CS1)C2=CC(=CC=C2)CN3C(CCC3=O)C4=CC=CC=C4C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C27H24N2OS/c1-19-28-25(18-31-19)22-11-7-8-20(16-22)17-29-26(14-15-27(29)30)24-13-6-5-12-23(24)21-9-3-2-4-10-21/h2-13,16,18,26H,14-15,17H2,1H3

>  <InChI Key>
AEGWGVROKVYKOO-UHFFFAOYSA-N

