
 CHEMBL102040

 70 75  0  0  0  0  0  0  0  0999 V2000
    0.4394   -1.0670   -0.3254 C   0  0  0  0  0
    1.8156   -0.6697   -0.0653 N   0  0  0  0  0
    2.8414   -1.7088    0.2755 C   0  0  0  0  0
    2.3134   -2.7441    1.2830 C   0  0  0  0  0
    1.5183   -3.9004    0.6810 C   0  0  0  0  0
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    1.9493   -6.4846   -1.9196 C   0  0  0  0  0
    3.0537   -6.6657   -0.9026 C   0  0  0  0  0
    3.1744   -5.4358   -0.1705 O   0  0  0  0  0
    2.6939   -3.5002   -1.5750 C   0  0  0  0  0
    3.5122   -2.3231   -0.9975 C   0  0  0  0  0
    4.9523   -2.6505   -0.9401 N   0  0  0  0  0
    5.8428   -1.4879   -0.9832 C   0  0  0  0  0
    7.1792   -2.0526   -0.5369 C   0  0  0  0  0
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    5.4488   -3.5842    0.0663 C   0  0  0  0  0
    2.2021    0.6805   -0.0474 C   0  0  0  0  0
    3.3730    1.0398    0.0264 O   0  0  0  0  0
    1.1140    1.6840    0.0303 C   0  0  0  0  0
    0.5443    2.1706   -1.2023 C   0  0  0  0  0
    1.3516    2.9941   -0.5354 C   0  0  0  0  0
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    0.1983    6.0555    1.3363 C   0  0  0  0  0
    0.4146    4.7156    1.0055 C   0  0  0  0  0
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   -2.2099    3.0318   -3.5934 C   0  0  0  0  0
   -0.9357    2.8427   -3.0503 C   0  0  0  0  0
   -0.1243   -0.2988   -0.8488 H   0  0  0  0  0
   -0.0573   -1.2688    0.6271 H   0  0  0  0  0
    0.4161   -1.9469   -0.9669 H   0  0  0  0  0
    3.6233   -1.1625    0.8185 H   0  0  0  0  0
    1.6941   -2.2436    2.0387 H   0  0  0  0  0
    3.1477   -3.1616    1.8525 H   0  0  0  0  0
    1.4150   -4.6676    1.4606 H   0  0  0  0  0
    0.4981   -3.5672    0.4685 H   0  0  0  0  0
    0.4432   -4.9043   -1.9630 H   0  0  0  0  0
    0.4496   -5.9204   -0.5159 H   0  0  0  0  0
    1.4124   -7.4123   -2.1355 H   0  0  0  0  0
    2.3570   -6.1066   -2.8638 H   0  0  0  0  0
    2.8021   -7.4532   -0.1848 H   0  0  0  0  0
    4.0121   -6.9126   -1.3679 H   0  0  0  0  0
    3.3075   -4.0088   -2.3313 H   0  0  0  0  0
    1.8585   -3.0643   -2.1376 H   0  0  0  0  0
    3.4519   -1.5516   -1.7801 H   0  0  0  0  0
    5.5294   -0.6996   -0.2915 H   0  0  0  0  0
    5.9091   -1.0679   -1.9917 H   0  0  0  0  0
    7.6633   -2.6027   -1.3529 H   0  0  0  0  0
    7.8676   -1.2801   -0.1830 H   0  0  0  0  0
    7.5220   -3.7777    0.7551 H   0  0  0  0  0
    6.6044   -2.4483    1.4926 H   0  0  0  0  0
    5.6334   -4.5525   -0.4115 H   0  0  0  0  0
    4.7968   -3.7520    0.9186 H   0  0  0  0  0
    0.4925    1.6511    0.9130 H   0  0  0  0  0
    2.0692    5.1547   -1.9359 H   0  0  0  0  0
    1.6810    7.5223   -1.3464 H   0  0  0  0  0
    0.4894    8.1077    0.7504 H   0  0  0  0  0
   -0.3194    6.3105    2.2571 H   0  0  0  0  0
    0.0596    3.9451    1.6837 H   0  0  0  0  0
   -1.8474    1.8665    0.0819 H   0  0  0  0  0
   -4.0879    2.1999   -0.8879 H   0  0  0  0  0
   -4.3312    2.9407   -3.2418 H   0  0  0  0  0
   -2.3156    3.3569   -4.6258 H   0  0  0  0  0
   -0.0607    3.0215   -3.6717 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2 18  1  0  0  0
  2  3  1  0  0  0
  3 12  1  0  0  0
  3  4  1  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  4 40  1  0  0  0
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  6 11  1  0  0  0
  6 10  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 43  1  0  0  0
  7 44  1  0  0  0
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  9 48  1  0  0  0
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 32 33  1  0  0  0
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 33 69  1  0  0  0
 34 70  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL102040

>  <PubChem CID>
11753832

>  <Formula>
C30H36N2O2

>  <Molecular Weight>
456.630000

>  <IUPAC Name>
N-methyl-2,3-diphenyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]cycloprop-2-ene-1-carboxamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(C1CCC2(CCCO2)CC1N3CCCC3)C(=O)C4C(=C4C5=CC=CC=C5)C6=CC=CC=C6

>  <Isomeric SMILES>
CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N3CCCC3)C(=O)C4C(=C4C5=CC=CC=C5)C6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C30H36N2O2/c1-31(24-15-17-30(16-10-20-34-30)21-25(24)32-18-8-9-19-32)29(33)28-26(22-11-4-2-5-12-22)27(28)23-13-6-3-7-14-23/h2-7,11-14,24-25,28H,8-10,15-21H2,1H3/t24-,25-,30-/m0/s1

>  <InChI Key>
DVBJTNONUUBBIZ-QRQMUESOSA-N

