
 CHEMBL3618201

 67 71  0  0  0  0  0  0  0  0999 V2000
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    0.6580   -7.1349   -1.6816 O   0  0  0  0  0
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    1.0808   -7.6558   -0.9667 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 42  1  0  0  0
  1 43  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3618201

>  <PubChem CID>
71547555

>  <Formula>
C31H26F2N2O6

>  <Molecular Weight>
560.554000

>  <IUPAC Name>
4-[3-(4-fluorophenoxy)-5-[[4-(4-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]phenoxy]benzoic acid

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CN(CCC1(C2=CC=C(C=C2)F)O)C(=O)NC3=CC(=CC(=C3)OC4=CC=C(C=C4)F)OC5=CC=C(C=C5)C(=O)O

>  <Isomeric SMILES>
C1CN(CCC1(C2=CC=C(C=C2)F)O)C(=O)NC3=CC(=CC(=C3)OC4=CC=C(C=C4)F)OC5=CC=C(C=C5)C(=O)O

>  <InChI Std. ID>
InChI=1S/C31H26F2N2O6/c32-22-5-3-21(4-6-22)31(39)13-15-35(16-14-31)30(38)34-24-17-27(40-25-9-1-20(2-10-25)29(36)37)19-28(18-24)41-26-11-7-23(33)8-12-26/h1-12,17-19,39H,13-16H2,(H,34,38)(H,36,37)

>  <InChI Key>
PZFBUIYFAFMDBM-UHFFFAOYSA-N

