
 CHEMBL3703198

 82 86  0  0  0  0  0  0  0  0999 V2000
    4.1489   -2.1410   -4.4092 C   0  0  0  0  0
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    6.8584    5.2455   -3.2285 N   0  0  0  0  0
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    1.9066    1.1227   -6.3366 H   0  0  0  0  0
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    6.6916    4.6455   -5.1919 H   0  0  0  0  0
    5.5421    5.8436   -1.7093 H   0  0  0  0  0
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    5.6176    3.4362   -1.4636 H   0  0  0  0  0
    3.9842    3.9383   -1.9226 H   0  0  0  0  0
    6.0586    7.5177   -2.8745 H   0  0  0  0  0
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    8.9298   12.4556   -2.2726 H   0  0  0  0  0
    9.7248    8.2525   -2.7241 H   0  0  0  0  0
   12.9447   11.5900   -3.4453 H   0  0  0  0  0
   14.2196   13.4896   -2.4548 H   0  0  0  0  0
   11.4894   13.6185    0.8454 H   0  0  0  0  0
   10.2405   11.6883   -0.0891 H   0  0  0  0  0
    5.8437   10.5010   -0.1064 H   0  0  0  0  0
    3.7016   10.3538    1.0456 H   0  0  0  0  0
    2.2721   13.7569   -1.1720 H   0  0  0  0  0
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    0.1757   12.8872   -0.8152 H   0  0  0  0  0
   -0.5897   12.8419    0.8229 H   0  0  0  0  0
   -0.1647   10.3655    0.9275 H   0  0  0  0  0
    0.6391   10.4367   -0.6993 H   0  0  0  0  0
    1.5781   13.1121    3.7470 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3703198

>  <PubChem CID>
89484778

>  <Formula>
C34H39FN2O6

>  <Molecular Weight>
590.692000

>  <IUPAC Name>
1-[4-[3-[[4-(2-ethylbutyl)-4-hydroxypiperidine-1-carbonyl]amino]-5-(4-fluorophenoxy)phenoxy]phenyl]cyclopropane-1-carboxylic acid

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CCC(CC)CC1(CCN(CC1)C(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)F)OC4=CC=C(C=C4)C5(CC5)C(=O)O)O

>  <Isomeric SMILES>
CCC(CC)CC1(CCN(CC1)C(=O)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)F)OC4=CC=C(C=C4)C5(CC5)C(=O)O)O

>  <InChI Std. ID>
InChI=1S/C34H39FN2O6/c1-3-23(4-2)22-33(41)15-17-37(18-16-33)32(40)36-26-19-29(21-30(20-26)43-28-11-7-25(35)8-12-28)42-27-9-5-24(6-10-27)34(13-14-34)31(38)39/h5-12,19-21,23,41H,3-4,13-18,22H2,1-2H3,(H,36,40)(H,38,39)

>  <InChI Key>
UZPSRIVFHKJDOL-UHFFFAOYSA-N

