
 CHEMBL3416883

 63 68  0  0  0  0  0  0  0  0999 V2000
    2.4837   -2.3957    2.8653 C   0  0  0  0  0
    3.6095   -2.0015    2.0199 N   0  0  0  0  0
    4.3514   -0.8930    2.6289 C   0  0  0  0  0
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    3.1202   -4.3653    0.1369 N   0  0  0  0  0
    2.1044   -3.7409   -0.5392 C   0  0  0  0  0
    0.9782   -4.5430   -0.4940 C   0  0  0  0  0
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    1.4555   -8.0695    0.9338 C   0  0  0  0  0
    0.7564   -7.0193    0.3296 C   0  0  0  0  0
    3.6241   -9.2030    2.0592 Cl  0  0  0  0  0
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   -2.2962    3.4280   -1.9143 C   0  0  0  0  0
   -2.2209    2.1160   -1.4756 C   0  0  0  0  0
   -2.9108    1.4762   -0.3316 C   0  0  0  0  0
   -2.5820    0.0721   -0.4318 O   0  0  0  0  0
    1.9153   -3.2157    2.4183 H   0  0  0  0  0
    1.7876   -1.5575    2.9820 H   0  0  0  0  0
    2.8066   -2.7148    3.8631 H   0  0  0  0  0
    4.4852   -1.0321    3.7095 H   0  0  0  0  0
    3.8579    0.0683    2.4557 H   0  0  0  0  0
    5.6211   -0.5785    0.9115 H   0  0  0  0  0
    6.4731   -0.4197    2.4624 H   0  0  0  0  0
    6.6460   -2.7346    1.1006 H   0  0  0  0  0
    6.4152   -2.7668    2.8564 H   0  0  0  0  0
    4.4733   -3.8909    2.5520 H   0  0  0  0  0
    5.1745   -4.5271    0.2380 H   0  0  0  0  0
    4.5763   -3.0029   -0.4023 H   0  0  0  0  0
    2.2494   -2.7512   -0.9530 H   0  0  0  0  0
    4.4820   -6.5663    1.4092 H   0  0  0  0  0
    0.9525   -9.0191    1.0957 H   0  0  0  0  0
   -0.2784   -7.1602    0.0256 H   0  0  0  0  0
    0.5202   -2.1674    0.4907 H   0  0  0  0  0
   -1.1764   -1.8825    0.7302 H   0  0  0  0  0
    0.0037    0.2020    0.0833 H   0  0  0  0  0
    0.5970   -0.5610   -1.3975 H   0  0  0  0  0
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   -1.5812    4.8223   -3.3933 H   0  0  0  0  0
   -2.9322    4.1517   -1.4143 H   0  0  0  0  0
   -2.5421    1.8532    0.6266 H   0  0  0  0  0
   -3.9974    1.5800   -0.3916 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  6  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 37  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
  5  6  1  0  0  0
  5 41  1  0  0  0
  5 42  1  0  0  0
  6  7  1  0  0  0
  6 43  1  0  0  0
  7  8  1  0  0  0
  7 44  1  0  0  0
  7 45  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 10  2  0  0  0
  9 46  1  0  0  0
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 27 28  1  0  0  0
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 32 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3416883

>  <PubChem CID>
11993729

>  <Formula>
C27H30ClN3O2

>  <Molecular Weight>
464.006000

>  <IUPAC Name>
[6-chloro-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CCCC1CN2C=C(C3=C2C=C(C=C3)Cl)C(=O)N4CCC5(CC4)C6=CC=CC=C6CO5

>  <Isomeric SMILES>
CN1CCC[C@H]1CN2C=C(C3=C2C=C(C=C3)Cl)C(=O)N4CCC5(CC4)C6=CC=CC=C6CO5

>  <InChI Std. ID>
InChI=1S/C27H30ClN3O2/c1-29-12-4-6-21(29)16-31-17-23(22-9-8-20(28)15-25(22)31)26(32)30-13-10-27(11-14-30)24-7-3-2-5-19(24)18-33-27/h2-3,5,7-9,15,17,21H,4,6,10-14,16,18H2,1H3/t21-/m0/s1

>  <InChI Key>
FLMPFQAMYYSHQA-NRFANRHFSA-N

