
 CHEMBL3703203

 78 81  0  0  0  0  0  0  0  0999 V2000
    2.5973    0.4426    2.4087 C   0  0  0  0  0
    2.3484    0.4360    0.9005 C   0  0  0  0  0
    0.8488    0.6368    0.6417 C   0  0  0  0  0
    3.1410    1.5199    0.1305 C   0  0  0  0  0
    4.6898    1.4486    0.1522 C   0  0  0  0  0
    5.2627    0.1093   -0.3370 C   0  0  0  0  0
    5.0866   -0.0870   -1.8382 C   0  0  0  0  0
    5.6476    1.0355   -2.5899 N   0  0  0  0  0
    5.1406    2.3536   -2.1991 C   0  0  0  0  0
    5.2912    2.5845   -0.7002 C   0  0  0  0  0
    6.1545    0.7443   -3.8627 C   0  0  0  0  0
    6.0677   -0.3843   -4.3383 O   0  0  0  0  0
    6.7801    1.8069   -4.4769 N   0  0  0  0  0
    7.3125    1.8592   -5.7833 C   0  0  0  0  0
    8.0229    3.0107   -6.1394 C   0  0  0  0  0
    8.6030    3.1264   -7.4090 C   0  0  0  0  0
    8.3952    2.1360   -8.3663 C   0  0  0  0  0
    7.6464    1.0090   -8.0342 C   0  0  0  0  0
    7.1519    0.8493   -6.7318 C   0  0  0  0  0
    7.4700    0.0723   -9.0322 O   0  0  0  0  0
    6.2861   -0.6329   -9.0576 C   0  0  0  0  0
    5.0363   -0.0342   -8.8525 C   0  0  0  0  0
    3.8834   -0.8191   -8.8483 C   0  0  0  0  0
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    9.3419    4.2227   -7.8013 O   0  0  0  0  0
   10.1677    4.7974   -6.8628 C   0  0  0  0  0
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   10.9108    6.8205   -5.7701 C   0  0  0  0  0
   11.7720    6.0903   -4.9307 C   0  0  0  0  0
   11.8494    4.6973   -5.1339 C   0  0  0  0  0
   11.0606    4.0566   -6.0928 C   0  0  0  0  0
   12.6423    6.7615   -3.8469 C   0  0  0  0  0
   12.2608    8.2320   -3.5702 C   0  0  0  0  0
   12.4838    5.9965   -2.5113 C   0  0  0  0  0
   14.1090    6.7882   -4.3007 C   0  0  0  0  0
   14.5197    6.9507   -5.4398 O   0  0  0  0  0
   15.0014    6.7072   -3.2920 O   0  0  0  0  0
    5.1325    1.7044    1.4906 O   0  0  0  0  0
    3.5918    0.0602    2.6504 H   0  0  0  0  0
    1.8818   -0.2057    2.9267 H   0  0  0  0  0
    2.4988    1.4504    2.8254 H   0  0  0  0  0
    2.6113   -0.5540    0.5110 H   0  0  0  0  0
    0.5181    1.6277    0.9719 H   0  0  0  0  0
    0.2542   -0.1133    1.1739 H   0  0  0  0  0
    0.6227    0.5413   -0.4255 H   0  0  0  0  0
    2.8399    2.4976    0.5328 H   0  0  0  0  0
    2.7946    1.4994   -0.9096 H   0  0  0  0  0
    4.8268   -0.7334    0.2102 H   0  0  0  0  0
    6.3358    0.0764   -0.1009 H   0  0  0  0  0
    5.5801   -1.0217   -2.1275 H   0  0  0  0  0
    4.0292   -0.1821   -2.1108 H   0  0  0  0  0
    5.6414    3.1624   -2.7350 H   0  0  0  0  0
    4.0891    2.3994   -2.5049 H   0  0  0  0  0
    6.3605    2.6784   -0.4631 H   0  0  0  0  0
    4.8466    3.5482   -0.4216 H   0  0  0  0  0
    7.0515    2.5602   -3.8664 H   0  0  0  0  0
    8.1366    3.8217   -5.4249 H   0  0  0  0  0
    8.8127    2.2413   -9.3632 H   0  0  0  0  0
    6.6254   -0.0656   -6.4829 H   0  0  0  0  0
    4.9549    1.0336   -8.6689 H   0  0  0  0  0
    2.9130   -0.3767   -8.6492 H   0  0  0  0  0
    5.2663   -3.8438   -9.5503 H   0  0  0  0  0
    7.3398   -2.4556   -9.5284 H   0  0  0  0  0
    9.4585    6.7655   -7.3652 H   0  0  0  0  0
   10.8366    7.9026   -5.7044 H   0  0  0  0  0
   12.5334    4.0846   -4.5505 H   0  0  0  0  0
   11.1457    2.9815   -6.2257 H   0  0  0  0  0
   12.4358    8.8706   -4.4439 H   0  0  0  0  0
   12.8664    8.6513   -2.7574 H   0  0  0  0  0
   11.2079    8.3264   -3.2801 H   0  0  0  0  0
   12.9370    4.9995   -2.5479 H   0  0  0  0  0
   11.4270    5.8772   -2.2445 H   0  0  0  0  0
   12.9721    6.5255   -1.6838 H   0  0  0  0  0
   15.8671    6.7853   -3.7464 H   0  0  0  0  0
    5.4023    0.8649    1.8999 H   0  0  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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  6  7  1  0  0  0
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  7  8  1  0  0  0
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  8  9  1  0  0  0
  8 11  1  0  0  0
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 11 13  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3703203

>  <PubChem CID>
71547556

>  <Formula>
C32H37FN2O6

>  <Molecular Weight>
564.654000

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

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C)CC1(CCN(CC1)C(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)F)OC4=CC=C(C=C4)C(C)(C)C(=O)O)O

>  <Isomeric SMILES>
CC(C)CC1(CCN(CC1)C(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)F)OC4=CC=C(C=C4)C(C)(C)C(=O)O)O

>  <InChI Std. ID>
InChI=1S/C32H37FN2O6/c1-21(2)20-32(39)13-15-35(16-14-32)30(38)34-24-17-27(19-28(18-24)41-26-11-7-23(33)8-12-26)40-25-9-5-22(6-10-25)31(3,4)29(36)37/h5-12,17-19,21,39H,13-16,20H2,1-4H3,(H,34,38)(H,36,37)

>  <InChI Key>
MBTKFRQXHPGCLC-UHFFFAOYSA-N

