
 CHEMBL521964

 63 64  0  0  0  0  0  0  0  0999 V2000
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    2.4530    0.6756   -8.6800 H   0  0  0  0  0
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   -4.2424    7.4149    2.8812 H   0  0  0  0  0
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  1  5  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL521964

>  <PubChem CID>
44564468

>  <Formula>
C23H31F3O6

>  <Molecular Weight>
460.490000

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

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1C(C(C(C1O)OCC(CCC2=CC(=CC=C2)C(F)(F)F)O)CC=CCCCC(=O)O)O

>  <Isomeric SMILES>
C1[C@@H]([C@@H]([C@H]([C@@H]1O)OC[C@@H](CCC2=CC(=CC=C2)C(F)(F)F)O)C/C=C\CCCC(=O)O)O

>  <InChI Std. ID>
InChI=1S/C23H31F3O6/c24-23(25,26)16-7-5-6-15(12-16)10-11-17(27)14-32-22-18(19(28)13-20(22)29)8-3-1-2-4-9-21(30)31/h1,3,5-7,12,17-20,22,27-29H,2,4,8-11,13-14H2,(H,30,31)/b3-1-/t17-,18+,19+,20-,22-/m1/s1

>  <InChI Key>
XLSNJVCYRKKOFS-AGDVZXGHSA-N

