
 CHEMBL3703199

 82 85  0  0  0  0  0  0  0  0999 V2000
    5.1730   -2.1638   -5.4642 C   0  0  0  0  0
    4.9708   -1.0407   -4.4540 C   0  0  0  0  0
    5.3389    0.3696   -4.9813 C   0  0  0  0  0
    4.6251    0.7074   -6.3071 C   0  0  0  0  0
    3.1073    0.7795   -6.2210 C   0  0  0  0  0
    5.1182    1.4017   -3.8339 C   0  0  0  0  0
    5.5475    2.8712   -4.0810 C   0  0  0  0  0
    7.0138    2.9732   -4.5120 C   0  0  0  0  0
    7.4652    4.4156   -4.6901 C   0  0  0  0  0
    7.1289    5.3040   -3.5809 N   0  0  0  0  0
    5.7865    5.1569   -3.0081 C   0  0  0  0  0
    5.3775    3.6971   -2.7947 C   0  0  0  0  0
    7.8923    6.4780   -3.5365 C   0  0  0  0  0
    9.0076    6.5176   -4.0539 O   0  0  0  0  0
    7.2814    7.5599   -2.9401 N   0  0  0  0  0
    7.8395    8.8514   -2.7767 C   0  0  0  0  0
    6.9700    9.8915   -2.4320 C   0  0  0  0  0
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    9.6853   10.4378   -2.7488 C   0  0  0  0  0
    9.1999    9.1360   -2.9199 C   0  0  0  0  0
   11.0314   10.6028   -2.9862 O   0  0  0  0  0
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    4.6446   10.8993    0.9879 C   0  0  0  0  0
    3.5493   11.7703    0.9210 C   0  0  0  0  0
    3.5526   12.8020   -0.0266 C   0  0  0  0  0
    4.6210   12.9411   -0.9171 C   0  0  0  0  0
    2.3532   11.6203    1.8025 C   0  0  0  0  0
    1.2907   12.1456    1.4878 O   0  0  0  0  0
    2.5268   10.8903    2.9600 N   0  0  0  0  0
    1.4601   10.7382    3.9271 C   0  0  0  0  0
    1.4410   11.8935    4.9106 C   0  0  0  0  0
    4.6701    3.4589   -5.0438 O   0  0  0  0  0
    5.0229   -3.1346   -4.9810 H   0  0  0  0  0
    6.1849   -2.1441   -5.8803 H   0  0  0  0  0
    4.4560   -2.0993   -6.2878 H   0  0  0  0  0
    5.5945   -1.2611   -3.5785 H   0  0  0  0  0
    3.9316   -1.0576   -4.1052 H   0  0  0  0  0
    6.4144    0.3425   -5.2007 H   0  0  0  0  0
    4.8939   -0.0343   -7.0685 H   0  0  0  0  0
    5.0097    1.6470   -6.7105 H   0  0  0  0  0
    2.6763   -0.1891   -5.9523 H   0  0  0  0  0
    2.6934    1.0659   -7.1935 H   0  0  0  0  0
    2.7736    1.5202   -5.4894 H   0  0  0  0  0
    5.6674    1.0353   -2.9549 H   0  0  0  0  0
    4.0565    1.3874   -3.5556 H   0  0  0  0  0
    7.1798    2.4584   -5.4645 H   0  0  0  0  0
    7.6516    2.4880   -3.7619 H   0  0  0  0  0
    8.5467    4.4161   -4.8658 H   0  0  0  0  0
    7.0032    4.8462   -5.5875 H   0  0  0  0  0
    5.7477    5.6720   -2.0416 H   0  0  0  0  0
    5.0838    5.6647   -3.6795 H   0  0  0  0  0
    5.9843    3.2656   -1.9882 H   0  0  0  0  0
    4.3315    3.6774   -2.4639 H   0  0  0  0  0
    6.2860    7.4957   -2.8101 H   0  0  0  0  0
    5.9048    9.7012   -2.3341 H   0  0  0  0  0
    9.1537   12.4962   -2.3403 H   0  0  0  0  0
    9.9190    8.3611   -3.1675 H   0  0  0  0  0
   10.7577   11.4045   -0.3816 H   0  0  0  0  0
   12.1490   13.1662    0.6717 H   0  0  0  0  0
   14.4099   13.5883   -2.9434 H   0  0  0  0  0
   12.9880   11.8609   -4.0434 H   0  0  0  0  0
    6.5749   10.3895    0.2126 H   0  0  0  0  0
    4.6694   10.0674    1.6840 H   0  0  0  0  0
    2.7146   13.4947   -0.0833 H   0  0  0  0  0
    4.6068   13.7392   -1.6555 H   0  0  0  0  0
    3.4591   10.6550    3.2670 H   0  0  0  0  0
    1.6359    9.7957    4.4551 H   0  0  0  0  0
    0.5002   10.6671    3.4056 H   0  0  0  0  0
    2.4031   11.9811    5.4266 H   0  0  0  0  0
    0.6600   11.7428    5.6614 H   0  0  0  0  0
    1.2502   12.8428    4.3998 H   0  0  0  0  0
    5.1101    3.4807   -5.9094 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3703199

>  <PubChem CID>
89484793

>  <Formula>
C33H40FN3O5

>  <Molecular Weight>
577.697000

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

>  <XlogP>
6.4

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <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)NCC)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)NCC)O

>  <InChI Std. ID>
InChI=1S/C33H40FN3O5/c1-4-23(5-2)22-33(40)15-17-37(18-16-33)32(39)36-26-19-29(21-30(20-26)42-28-13-9-25(34)10-14-28)41-27-11-7-24(8-12-27)31(38)35-6-3/h7-14,19-21,23,40H,4-6,15-18,22H2,1-3H3,(H,35,38)(H,36,39)

>  <InChI Key>
OHOPIJDKZBJLAT-UHFFFAOYSA-N

