
 CHEMBL3759532

 76 80  0  0  0  0  0  0  0  0999 V2000
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    9.3174   -4.2633  -10.4463 H   0  0  0  0  0
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   11.9313   -2.4393   -8.3682 H   0  0  0  0  0
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   -3.5643  -11.5247   -6.6093 H   0  0  0  0  0
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   -1.8378  -10.6183   -4.2759 H   0  0  0  0  0
   -4.6257   -9.5924   -4.3520 H   0  0  0  0  0
   -3.1370   -8.7678   -3.9026 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3759532

>  <PubChem CID>
90309512

>  <Formula>
C32H35FN2O6

>  <Molecular Weight>
562.638000

>  <IUPAC Name>
2-[4-[3-[(3-cyclopentyl-3-hydroxypyrrolidine-1-carbonyl)amino]-5-(4-fluorophenoxy)phenoxy]phenyl]-2-methylpropanoic acid

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C)(C1=CC=C(C=C1)OC2=CC(=CC(=C2)NC(=O)N3CCC(C3)(C4CCCC4)O)OC5=CC=C(C=C5)F)C(=O)O

>  <Isomeric SMILES>
CC(C)(C1=CC=C(C=C1)OC2=CC(=CC(=C2)NC(=O)N3CCC(C3)(C4CCCC4)O)OC5=CC=C(C=C5)F)C(=O)O

>  <InChI Std. ID>
InChI=1S/C32H35FN2O6/c1-31(2,29(36)37)21-7-11-25(12-8-21)40-27-17-24(18-28(19-27)41-26-13-9-23(33)10-14-26)34-30(38)35-16-15-32(39,20-35)22-5-3-4-6-22/h7-14,17-19,22,39H,3-6,15-16,20H2,1-2H3,(H,34,38)(H,36,37)

>  <InChI Key>
AFNDMYLRRQXVOM-UHFFFAOYSA-N

