
 CHEMBL3703200

 90 94  0  0  0  0  0  0  0  0999 V2000
    1.8444   -1.0448   -4.9709 C   0  0  0  0  0
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    6.0148    5.2333   -2.2806 N   0  0  0  0  0
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    0.3170   14.0451    2.3791 O   0  0  0  0  0
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    1.8276    2.7902   -3.3614 H   0  0  0  0  0
    5.5670    2.2695   -3.9451 H   0  0  0  0  0
    5.4012    2.3962   -2.1913 H   0  0  0  0  0
    7.3064    3.6804   -2.8712 H   0  0  0  0  0
    6.4278    4.4855   -4.1655 H   0  0  0  0  0
    4.4729    6.2381   -1.2873 H   0  0  0  0  0
    4.3916    6.2735   -3.0526 H   0  0  0  0  0
    3.7252    3.9475   -1.1707 H   0  0  0  0  0
    2.6105    4.8649   -2.1892 H   0  0  0  0  0
    5.7547    7.6629   -1.9346 H   0  0  0  0  0
    5.9250    9.9351   -1.7294 H   0  0  0  0  0
    9.7817   11.7865   -1.5747 H   0  0  0  0  0
    9.4957    7.5034   -1.6336 H   0  0  0  0  0
   10.5560   10.7643    0.8620 H   0  0  0  0  0
   12.0720   12.4210    1.9120 H   0  0  0  0  0
   15.0568   11.6130   -1.0540 H   0  0  0  0  0
   13.5261    9.9892   -2.1661 H   0  0  0  0  0
    5.6277   14.1156   -0.7560 H   0  0  0  0  0
    4.6644   14.5890    1.4628 H   0  0  0  0  0
    6.7878   11.2090    3.0891 H   0  0  0  0  0
    7.8553   10.8346    0.9445 H   0  0  0  0  0
    3.7805   12.3258    5.9396 H   0  0  0  0  0
    2.8406   11.2905    4.8748 H   0  0  0  0  0
    1.3430   12.3443    6.4895 H   0  0  0  0  0
    1.9803   13.9461    6.1158 H   0  0  0  0  0
    0.3308   12.1592    4.2586 H   0  0  0  0  0
   -0.1783   13.6692    4.9858 H   0  0  0  0  0
    1.5596   14.9139    3.7404 H   0  0  0  0  0
    2.2930   12.2148    2.4546 H   0  0  0  0  0
    2.9288   13.7921    2.0613 H   0  0  0  0  0
   -0.0413   13.1659    2.1716 H   0  0  0  0  0
    2.8539    4.5172   -4.5973 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3703200

>  <PubChem CID>
89484784

>  <Formula>
C36H44FN3O6

>  <Molecular Weight>
633.761000

>  <IUPAC Name>
4-(2-ethylbutyl)-N-[3-(4-fluorophenoxy)-5-[4-(3-hydroxypiperidine-1-carbonyl)phenoxy]phenyl]-4-hydroxypiperidine-1-carboxamide

>  <XlogP>
6.1

>  <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)C(=O)N5CCCC(C5)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)C(=O)N5CCCC(C5)O)O

>  <InChI Std. ID>
InChI=1S/C36H44FN3O6/c1-3-25(4-2)23-36(44)15-18-39(19-16-36)35(43)38-28-20-32(22-33(21-28)46-31-13-9-27(37)10-14-31)45-30-11-7-26(8-12-30)34(42)40-17-5-6-29(41)24-40/h7-14,20-22,25,29,41,44H,3-6,15-19,23-24H2,1-2H3,(H,38,43)

>  <InChI Key>
BZVBOQNGUPRKHW-UHFFFAOYSA-N

