
 CHEMBL191874

 69 71  0  0  0  0  0  0  0  0999 V2000
    1.6675    4.8857    0.5030 C   0  0  0  0  0
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  1  2  1  0  0  0
  1 35  1  0  0  0
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  1 37  1  0  0  0
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  2  7  1  0  0  0
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 31 32  1  0  0  0
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 32 34  1  0  0  0
 32 33  2  0  0  0
 34 69  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL191874

>  <PubChem CID>
24771583

>  <Formula>
C28H35NO5

>  <Molecular Weight>
465.590000

>  <IUPAC Name>
7-[(2R)-2-[3-[3-(4-hydroxy-2-methylphenyl)phenyl]-3-oxopropyl]-6-oxopiperidin-1-yl]heptanoic acid

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C=CC(=C1)O)C2=CC(=CC=C2)C(=O)CCC3CCCC(=O)N3CCCCCCC(=O)O

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)O)C2=CC(=CC=C2)C(=O)CC[C@H]3CCCC(=O)N3CCCCCCC(=O)O

>  <InChI Std. ID>
InChI=1S/C28H35NO5/c1-20-18-24(30)14-15-25(20)21-8-6-9-22(19-21)26(31)16-13-23-10-7-11-27(32)29(23)17-5-3-2-4-12-28(33)34/h6,8-9,14-15,18-19,23,30H,2-5,7,10-13,16-17H2,1H3,(H,33,34)/t23-/m1/s1

>  <InChI Key>
AOXJIHSGSFPGMK-HSZRJFAPSA-N

