
 CHEMBL269457

 64 67  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL269457

>  <PubChem CID>
44266921

>  <Formula>
C25H29ClFNO6S

>  <Molecular Weight>
526.016000

>  <IUPAC Name>
2-[4-[(5S,6R)-6-[[(4-chlorophenyl)sulfonylamino]methyl]-4-(4-fluorophenyl)-2-oxabicyclo[2.2.1]heptan-5-yl]butoxy]acetic acid

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1C2C(C(C1(CO2)C3=CC=C(C=C3)F)CCCCOCC(=O)O)CNS(=O)(=O)C4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
C1C2[C@H]([C@@H](C1(CO2)C3=CC=C(C=C3)F)CCCCOCC(=O)O)CNS(=O)(=O)C4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C25H29ClFNO6S/c26-18-6-10-20(11-7-18)35(31,32)28-14-21-22(3-1-2-12-33-15-24(29)30)25(13-23(21)34-16-25)17-4-8-19(27)9-5-17/h4-11,21-23,28H,1-3,12-16H2,(H,29,30)/t21-,22-,23?,25?/m0/s1

>  <InChI Key>
AFYJVBPMGPYLIM-CLGZFQFVSA-N

