
 CHEMBL36911

 64 65  0  0  0  0  0  0  0  0999 V2000
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    5.5108    4.4253   -4.8244 H   0  0  0  0  0
    5.6719    4.4017   -7.3022 H   0  0  0  0  0
    6.3221    0.1694   -7.2517 H   0  0  0  0  0
    6.1660    0.1561   -4.7737 H   0  0  0  0  0
    3.9632    3.9298   -0.8850 H   0  0  0  0  0
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  4  5  1  0  0  0
  4  7  1  0  0  0
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  5  6  1  0  0  0
  5 35  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL36911

>  <PubChem CID>
44285328

>  <Formula>
C23H35FO5

>  <Molecular Weight>
410.526000

>  <IUPAC Name>
7-[(1R,2R,3R,5S)-2-[(3R)-5-(4-fluorophenyl)-3-hydroxypentyl]-3,5-dihydroxycyclopentyl]heptanoic acid

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1C(C(C(C1O)CCC(CCC2=CC=C(C=C2)F)O)CCCCCCC(=O)O)O

>  <Isomeric SMILES>
C1[C@@H]([C@@H]([C@H]([C@@H]1O)CC[C@H](CCC2=CC=C(C=C2)F)O)CCCCCCC(=O)O)O

>  <InChI Std. ID>
InChI=1S/C23H35FO5/c24-17-10-7-16(8-11-17)9-12-18(25)13-14-20-19(21(26)15-22(20)27)5-3-1-2-4-6-23(28)29/h7-8,10-11,18-22,25-27H,1-6,9,12-15H2,(H,28,29)/t18-,19+,20+,21-,22+/m0/s1

>  <InChI Key>
BTTDPLCDPXPOEM-AHJNKEMKSA-N

