
 CHEMBL1276947

 55 60  0  0  0  0  0  0  0  0999 V2000
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    1.0289    0.0515    1.9821 C   0  0  0  0  0
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   -2.9263   -3.0370   -2.6591 O   0  0  0  0  0
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    4.0887   -0.5766    2.0871 C   0  0  0  0  0
    4.0022   -1.8881    2.5729 C   0  0  0  0  0
    4.7105   -2.2669    3.7132 C   0  0  0  0  0
    5.5119   -1.3403    4.3753 C   0  0  0  0  0
    5.6137   -0.0362    3.8919 C   0  0  0  0  0
    4.9111    0.3507    2.7418 C   0  0  0  0  0
    5.0183    1.7519    2.1989 C   0  0  0  0  0
    3.7556    2.5702    2.3645 C   0  0  0  0  0
    3.9217    3.8307    2.9902 C   0  0  0  0  0
    2.8488    4.6876    3.2141 C   0  0  0  0  0
    1.5833    4.3028    2.8184 C   0  0  0  0  0
    1.4003    3.0697    2.1900 C   0  0  0  0  0
    2.4691    2.1717    1.9263 C   0  0  0  0  0
   -0.8283    1.0231    1.4379 H   0  0  0  0  0
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    1.2905   -1.0096    2.0733 H   0  0  0  0  0
    0.8694    0.4147    3.0036 H   0  0  0  0  0
    2.1270    1.0428   -1.0100 H   0  0  0  0  0
    1.0872    2.2084   -0.2303 H   0  0  0  0  0
    0.5799   -0.7702   -0.6251 H   0  0  0  0  0
    0.7154    1.1204   -2.6619 H   0  0  0  0  0
   -0.8399    1.8930   -2.9383 H   0  0  0  0  0
   -0.0164   -0.7078   -3.9037 H   0  0  0  0  0
   -2.8697    0.5683   -3.8295 H   0  0  0  0  0
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   -2.9077    0.3604   -1.3259 H   0  0  0  0  0
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    3.9876    0.3187    0.1543 H   0  0  0  0  0
    3.3728   -2.6205    2.0734 H   0  0  0  0  0
    4.6312   -3.2833    4.0892 H   0  0  0  0  0
    6.0569   -1.6326    5.2688 H   0  0  0  0  0
    6.2418    0.6772    4.4200 H   0  0  0  0  0
    5.8598    2.2491    2.6996 H   0  0  0  0  0
    5.3078    1.7378    1.1413 H   0  0  0  0  0
    4.9088    4.1533    3.3174 H   0  0  0  0  0
    3.0057    5.6464    3.6992 H   0  0  0  0  0
    0.7316    4.9558    2.9899 H   0  0  0  0  0
    0.3845    2.8208    1.8935 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
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  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3 15  1  0  0  0
  3 28  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
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  9 39  1  0  0  0
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 15 16  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1276947

>  <PubChem CID>
49836528

>  <Formula>
C25H27NO2

>  <Molecular Weight>
373.496000

>  <IUPAC Name>
(1R,5R)-3-[(5S)-spiro[6,11-dihydrodibenzo[1,2-b:1',2'-f][7]annulene-5,3'-cyclopentane]-1'-yl]-3-azabicyclo[3.1.0]hexane-1-carboxylic acid

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC2(CC1N3CC4CC4(C3)C(=O)O)CC5=CC=CC=C5CC6=CC=CC=C26

>  <Isomeric SMILES>
C1C[C@@]2(CC1N3C[C@@H]4C[C@@]4(C3)C(=O)O)CC5=CC=CC=C5CC6=CC=CC=C26

>  <InChI Std. ID>
InChI=1S/C25H27NO2/c27-23(28)25-13-20(25)15-26(16-25)21-9-10-24(14-21)12-19-7-2-1-5-17(19)11-18-6-3-4-8-22(18)24/h1-8,20-21H,9-16H2,(H,27,28)/t20-,21?,24-,25-/m0/s1

>  <InChI Key>
GPWMNUXSJDSCAV-NZICPMOKSA-N

