
 CHEMBL233028

 67 70  0  0  0  0  0  0  0  0999 V2000
    0.7025   -0.9144    0.7631 C   0  0  0  0  0
   -0.6886   -1.0380    1.3846 C   0  0  0  0  0
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    2.6271   -2.0966    4.9601 C   0  0  0  0  0
    2.9251    0.5889    2.4176 C   0  0  0  0  0
    3.1694    0.8797    1.2481 O   0  0  0  0  0
    3.2273    1.4470    3.4596 N   0  0  0  0  0
    3.8908    2.7263    3.2254 C   0  0  0  0  0
    3.6129    3.6898    4.3841 C   0  0  0  0  0
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    5.7377    4.8205    3.9248 N   0  0  0  0  0
    6.0775    3.9316    2.8137 C   0  0  0  0  0
    5.4061    2.5663    3.0053 C   0  0  0  0  0
    6.6172    5.2173    4.9252 C   0  0  0  0  0
    6.2169    5.5715    6.0351 O   0  0  0  0  0
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    7.8740    9.4674    6.4214 N   0  0  0  0  0
    8.6687   10.1554    5.5773 C   0  0  0  0  0
    9.5781    9.5587    4.7206 C   0  0  0  0  0
    9.6807    8.1695    4.7271 C   0  0  0  0  0
   -1.1935   -3.1671    0.5315 F   0  0  0  0  0
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    0.6799   -1.3870   -0.2281 H   0  0  0  0  0
    0.9154    0.1437    0.5849 H   0  0  0  0  0
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    0.0189   -2.7247    3.5454 H   0  0  0  0  0
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    1.3759   -3.5988    0.9463 H   0  0  0  0  0
    2.7079   -1.6588    0.9430 H   0  0  0  0  0
    1.3390   -0.4464    3.3940 H   0  0  0  0  0
    4.9561   -1.2797    2.6052 H   0  0  0  0  0
    6.3798   -2.5866    4.1301 H   0  0  0  0  0
    5.4146   -3.6313    6.1609 H   0  0  0  0  0
    3.0116   -3.3285    6.6877 H   0  0  0  0  0
    1.5753   -1.9813    5.2123 H   0  0  0  0  0
    3.2552    1.0562    4.3956 H   0  0  0  0  0
    3.4568    3.1506    2.3100 H   0  0  0  0  0
    3.9714    3.2547    5.3263 H   0  0  0  0  0
    2.5337    3.8482    4.4953 H   0  0  0  0  0
    3.9093    5.4962    3.2281 H   0  0  0  0  0
    4.1206    5.7084    4.9641 H   0  0  0  0  0
    5.7230    4.4057    1.8911 H   0  0  0  0  0
    7.1572    3.7950    2.7219 H   0  0  0  0  0
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    5.8505    2.0569    3.8705 H   0  0  0  0  0
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    8.4143    4.1500    4.5507 H   0  0  0  0  0
   10.0140    5.6303    5.4783 H   0  0  0  0  0
    8.7199    5.5626    6.6477 H   0  0  0  0  0
    7.3365    7.6014    7.1026 H   0  0  0  0  0
    8.5518   11.2347    5.6097 H   0  0  0  0  0
   10.1950   10.1635    4.0659 H   0  0  0  0  0
   10.3936    7.6829    4.0671 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
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  5  6  1  0  0  0
  5 41  1  0  0  0
  5 42  1  0  0  0
  6  7  1  0  0  0
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  7 14  1  0  0  0
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  7 44  1  0  0  0
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  8 13  1  0  0  0
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 32 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL233028

>  <PubChem CID>
44430527

>  <Formula>
C27H33F2N3O2

>  <Molecular Weight>
469.577000

>  <IUPAC Name>
2-(4,4-difluorocyclohexyl)-2-phenyl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]acetamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(CCC1C(C2=CC=CC=C2)C(=O)NC3CCN(CC3)C(=O)CCC4=CN=CC=C4)(F)F

>  <Isomeric SMILES>
C1CC(CCC1C(C2=CC=CC=C2)C(=O)NC3CCN(CC3)C(=O)CCC4=CN=CC=C4)(F)F

>  <InChI Std. ID>
InChI=1S/C27H33F2N3O2/c28-27(29)14-10-22(11-15-27)25(21-6-2-1-3-7-21)26(34)31-23-12-17-32(18-13-23)24(33)9-8-20-5-4-16-30-19-20/h1-7,16,19,22-23,25H,8-15,17-18H2,(H,31,34)

>  <InChI Key>
ICHRXXYYJYXFNM-UHFFFAOYSA-N

