
 CHEMBL289660

 67 68  0  0  0  0  0  0  0  0999 V2000
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    3.9038    1.1871   -3.0971 H   0  0  0  0  0
    6.3713    1.6003   -2.8077 H   0  0  0  0  0
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    6.0477    0.4156   -4.9796 H   0  0  0  0  0
    4.0020    3.8935   -0.7449 H   0  0  0  0  0
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    0.4402    1.5545   -2.3865 H   0  0  0  0  0
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   -0.6360   -0.4255    1.9060 H   0  0  0  0  0
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  2  3  1  0  0  0
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  3 23  1  0  0  0
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 32 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL289660

>  <PubChem CID>
44285161

>  <Formula>
C24H35F3O5

>  <Molecular Weight>
460.534000

>  <IUPAC Name>
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-[4-(trifluoromethyl)phenyl]pentyl]cyclopentyl]heptanoic acid

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
8

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

>  <InChI Std. ID>
InChI=1S/C24H35F3O5/c25-24(26,27)17-10-7-16(8-11-17)9-12-18(28)13-14-20-19(21(29)15-22(20)30)5-3-1-2-4-6-23(31)32/h7-8,10-11,18-22,28-30H,1-6,9,12-15H2,(H,31,32)/t18-,19+,20+,21-,22+/m0/s1

>  <InChI Key>
CLZNYVHQDWXKEA-AHJNKEMKSA-N

