
 CHEMBL2048621

 72 75  0  0  0  0  0  0  0  0999 V2000
    1.3398   -0.2772    0.9539 C   0  0  0  0  0
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    6.4621    3.7227   -2.8829 C   0  0  0  0  0
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    5.2232    5.4887   -4.1409 C   0  0  0  0  0
    5.4262    6.4115   -3.3699 O   0  0  0  0  0
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    3.6626   -3.6533    1.2289 H   0  0  0  0  0
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    6.3751   -2.0541   -1.7209 H   0  0  0  0  0
    7.0817    2.0148   -0.8179 H   0  0  0  0  0
    6.8293    3.6027   -0.1334 H   0  0  0  0  0
    4.8120    3.9880   -1.5005 H   0  0  0  0  0
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    3.7795    3.8441   -6.6401 H   0  0  0  0  0
    4.4871    6.4136   -5.9462 H   0  0  0  0  0
    3.2631    5.5296   -4.9749 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2048621

>  <PubChem CID>
11489259

>  <Formula>
C31H34FNO5

>  <Molecular Weight>
519.613000

>  <IUPAC Name>
3-[4-[[3-[2,6-dimethyl-4-[3-(2-oxopyrrolidin-1-yl)propoxy]phenyl]phenyl]methoxy]-2-fluorophenyl]propanoic acid

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=CC(=C1C2=CC(=CC=C2)COC3=CC(=C(C=C3)CCC(=O)O)F)C)OCCCN4CCCC4=O

>  <Isomeric SMILES>
CC1=CC(=CC(=C1C2=CC(=CC=C2)COC3=CC(=C(C=C3)CCC(=O)O)F)C)OCCCN4CCCC4=O

>  <InChI Std. ID>
InChI=1S/C31H34FNO5/c1-21-16-27(37-15-5-14-33-13-4-8-29(33)34)17-22(2)31(21)25-7-3-6-23(18-25)20-38-26-11-9-24(28(32)19-26)10-12-30(35)36/h3,6-7,9,11,16-19H,4-5,8,10,12-15,20H2,1-2H3,(H,35,36)

>  <InChI Key>
FKCANYSFMNFPSV-UHFFFAOYSA-N

