
 CHEMBL39784

 67 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL39784

>  <PubChem CID>
10389527

>  <Formula>
C24H35F3O5

>  <Molecular Weight>
460.534000

>  <IUPAC Name>
7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-[3-(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(=CC=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(=CC=C2)C(F)(F)F)O)CCCCCCC(=O)O)O

>  <InChI Std. ID>
InChI=1S/C24H35F3O5/c25-24(26,27)17-7-5-6-16(14-17)10-11-18(28)12-13-20-19(21(29)15-22(20)30)8-3-1-2-4-9-23(31)32/h5-7,14,18-22,28-30H,1-4,8-13,15H2,(H,31,32)/t18-,19+,20+,21-,22+/m0/s1

>  <InChI Key>
DSVAWVBHUBDAPY-AHJNKEMKSA-N

