
 CHEMBL245313

 71 75  0  0  0  0  0  0  0  0999 V2000
    0.7932   -0.4170    1.5721 C   0  0  0  0  0
    0.8988   -0.9002    0.1954 N   0  0  0  0  0
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   -1.5115    6.6826    2.4853 C   0  0  0  0  0
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   -1.1988    8.2226    0.6649 C   0  0  0  0  0
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   -1.5457    6.4653    3.8098 F   0  0  0  0  0
    0.7184    0.6678    1.6396 H   0  0  0  0  0
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    1.1726   -2.6006   -1.0004 H   0  0  0  0  0
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    1.5189   -5.2955    1.6659 H   0  0  0  0  0
    1.5814   -5.0856   -0.0649 H   0  0  0  0  0
    4.7876   -3.3708   -0.1695 H   0  0  0  0  0
    3.4496   -3.9591   -1.1026 H   0  0  0  0  0
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    3.3283   -4.6802    3.0215 H   0  0  0  0  0
    3.3231   -2.9916    2.5552 H   0  0  0  0  0
    5.7375   -3.2744    1.7448 H   0  0  0  0  0
    5.6805   -4.9438    2.2762 H   0  0  0  0  0
    5.6931   -1.3844    3.3377 H   0  0  0  0  0
    6.3497   -0.6383    5.5988 H   0  0  0  0  0
    6.6919   -2.2974    7.4099 H   0  0  0  0  0
    6.3621   -4.7132    6.9564 H   0  0  0  0  0
    5.7037   -5.4784    4.7016 H   0  0  0  0  0
   -0.5632    1.2501    0.2333 H   0  0  0  0  0
    2.0442    1.9461   -0.3472 H   0  0  0  0  0
    0.7907    3.1577   -0.0625 H   0  0  0  0  0
    1.3788    3.8700   -2.1967 H   0  0  0  0  0
    1.9815    2.2863   -2.6785 H   0  0  0  0  0
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   -1.0695    8.7658    2.7519 H   0  0  0  0  0
   -0.9933    9.2270    0.3038 H   0  0  0  0  0
   -1.3919    7.4070   -1.3091 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL245313

>  <PubChem CID>
44440065

>  <Formula>
C29H34FN3O3S

>  <Molecular Weight>
523.667000

>  <IUPAC Name>
(2S)-1-(5-fluoronaphthalen-2-yl)sulfonyl-N-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidine-2-carboxamide

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(C1CCN(CC1)CCC2=CC=CC=C2)C(=O)C3CCCN3S(=O)(=O)C4=CC5=C(C=C4)C(=CC=C5)F

>  <Isomeric SMILES>
CN(C1CCN(CC1)CCC2=CC=CC=C2)C(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC5=C(C=C4)C(=CC=C5)F

>  <InChI Std. ID>
InChI=1S/C29H34FN3O3S/c1-31(24-15-19-32(20-16-24)18-14-22-7-3-2-4-8-22)29(34)28-11-6-17-33(28)37(35,36)25-12-13-26-23(21-25)9-5-10-27(26)30/h2-5,7-10,12-13,21,24,28H,6,11,14-20H2,1H3/t28-/m0/s1

>  <InChI Key>
BRADURLXJDKZGP-NDEPHWFRSA-N

