
 CHEMBL3893207

 83 86  0  0  0  0  0  0  0  0999 V2000
    2.1601    5.4046   -6.5095 C   0  0  0  0  0
    2.9580    4.3828   -6.0352 O   0  0  0  0  0
    3.4987    4.3218   -4.7895 C   0  0  0  0  0
    4.3753    3.2707   -4.4936 C   0  0  0  0  0
    4.9639    3.1677   -3.2307 C   0  0  0  0  0
    4.6776    4.1130   -2.2330 C   0  0  0  0  0
    3.7898    5.1645   -2.5215 C   0  0  0  0  0
    3.2084    5.2722   -3.7895 C   0  0  0  0  0
    5.3105    3.9963   -0.8624 C   0  0  0  0  0
    6.8578    4.1246   -0.9045 C   0  0  0  0  0
    7.5037    3.9902    0.4813 C   0  0  0  0  0
    7.3082    5.2746    1.3006 C   0  0  0  0  0
    7.9021    6.4057    0.6698 O   0  0  0  0  0
    7.3499    6.6882   -0.6175 C   0  0  0  0  0
    7.4112    5.4193   -1.5330 C   0  0  0  0  0
    5.9319    7.3236   -0.4929 C   0  0  0  0  0
    5.9830    8.6784    0.2389 C   0  0  0  0  0
    6.8635    9.6457   -0.4445 N   0  0  0  0  0
    8.2336    9.0986   -0.5586 C   0  0  0  0  0
    8.2576    7.7497   -1.2993 C   0  0  0  0  0
    6.2760   10.1199   -1.7207 C   0  0  0  0  0
    7.0532   11.2654   -2.3083 C   0  0  0  0  0
    7.5978   11.1648   -3.5991 C   0  0  0  0  0
    8.3016   12.2370   -4.1503 C   0  0  0  0  0
    8.4793   13.4185   -3.4140 C   0  0  0  0  0
    7.9381   13.5168   -2.1223 C   0  0  0  0  0
    7.2254   12.4475   -1.5744 C   0  0  0  0  0
    9.2405   14.5680   -4.0093 C   0  0  0  0  0
   10.4924   14.1331   -4.4013 O   0  0  0  0  0
   11.4588   14.9156   -4.9462 C   0  0  0  0  0
   11.4273   16.3227   -4.8628 C   0  0  0  0  0
   12.4496   17.0844   -5.4327 C   0  0  0  0  0
   13.5092   16.4597   -6.1097 C   0  0  0  0  0
   13.5381   15.0584   -6.1934 C   0  0  0  0  0
   12.5241   14.2958   -5.6081 C   0  0  0  0  0
   14.6129   17.2842   -6.7324 C   0  0  0  0  0
   14.1010   18.2924   -7.7794 C   0  0  0  0  0
   13.4218   17.6727   -8.9788 C   0  0  0  0  0
   13.3061   16.4612   -9.0781 O   0  0  0  0  0
   12.9374   18.4652   -9.9577 O   0  0  0  0  0
   -1.5724    1.3661   -0.9504 Cl  0  0  0  0  0
    1.8572    5.1713   -7.5516 H   0  0  0  0  0
    2.7268    6.3594   -6.5130 H   0  0  0  0  0
    1.2416    5.5033   -5.8924 H   0  0  0  0  0
    4.6040    2.5311   -5.2511 H   0  0  0  0  0
    5.6381    2.3437   -3.0272 H   0  0  0  0  0
    3.5501    5.9017   -1.7668 H   0  0  0  0  0
    2.5332    6.0957   -3.9833 H   0  0  0  0  0
    5.0416    3.0023   -0.4439 H   0  0  0  0  0
    4.8605    4.7193   -0.1735 H   0  0  0  0  0
    7.2023    3.2704   -1.5277 H   0  0  0  0  0
    8.5998    3.8427    0.3554 H   0  0  0  0  0
    7.1029    3.1028    1.0169 H   0  0  0  0  0
    7.8190    5.1288    2.2764 H   0  0  0  0  0
    6.2445    5.4565    1.5510 H   0  0  0  0  0
    6.9698    5.6099   -2.5353 H   0  0  0  0  0
    8.4923    5.2068   -1.7029 H   0  0  0  0  0
    5.4977    7.4598   -1.5036 H   0  0  0  0  0
    5.2255    6.7090    0.0720 H   0  0  0  0  0
    4.9556    9.0945    0.3285 H   0  0  0  0  0
    6.3497    8.5199    1.2773 H   0  0  0  0  0
    8.9027    9.8215   -1.0710 H   0  0  0  0  0
    8.6502    8.9585    0.4632 H   0  0  0  0  0
    7.9338    7.9123   -2.3489 H   0  0  0  0  0
    9.3090    7.3865   -1.3356 H   0  0  0  0  0
    5.2442   10.4911   -1.5362 H   0  0  0  0  0
    6.1951    9.3000   -2.4613 H   0  0  0  0  0
    7.4734   10.2582   -4.1782 H   0  0  0  0  0
    8.7144   12.1465   -5.1482 H   0  0  0  0  0
    8.0610   14.4223   -1.5421 H   0  0  0  0  0
    6.8053   12.5389   -0.5808 H   0  0  0  0  0
    9.3242   15.3885   -3.2645 H   0  0  0  0  0
    8.6921   14.9421   -4.9007 H   0  0  0  0  0
   10.6244   16.8362   -4.3544 H   0  0  0  0  0
   12.4126   18.1634   -5.3480 H   0  0  0  0  0
   14.3488   14.5558   -6.7075 H   0  0  0  0  0
   12.5595   13.2144   -5.6798 H   0  0  0  0  0
   15.3724   16.6275   -7.2111 H   0  0  0  0  0
   15.1222   17.8489   -5.9222 H   0  0  0  0  0
   14.9685   18.8821   -8.1447 H   0  0  0  0  0
   13.3919   18.9988   -7.2987 H   0  0  0  0  0
   13.0141   19.4290   -9.9065 H   0  0  0  0  0
   -0.9112    2.1491   -0.0328 H   0  0  0  0  0
  1  2  1  0  0  0
  1 42  1  0  0  0
  1 43  1  0  0  0
  1 44  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 45  1  0  0  0
  5  6  2  0  0  0
  5 46  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 47  1  0  0  0
  8 48  1  0  0  0
  9 10  1  0  0  0
  9 49  1  0  0  0
  9 50  1  0  0  0
 10 11  1  0  0  0
 10 15  1  0  0  0
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 11 12  1  0  0  0
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 12 13  1  0  0  0
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 13 14  1  0  0  0
 14 15  1  0  0  0
 14 20  1  0  0  0
 14 16  1  0  0  0
 15 56  1  0  0  0
 15 57  1  0  0  0
 16 17  1  0  0  0
 16 58  1  0  0  0
 16 59  1  0  0  0
 17 18  1  0  0  0
 17 60  1  0  0  0
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 18 21  1  0  0  0
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 20 65  1  0  0  0
 21 22  1  0  0  0
 21 66  1  0  0  0
 21 67  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 68  1  0  0  0
 24 25  2  0  0  0
 24 69  1  0  0  0
 25 26  1  0  0  0
 25 28  1  0  0  0
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 31 32  1  0  0  0
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 32 33  2  0  0  0
 32 75  1  0  0  0
 33 34  1  0  0  0
 33 36  1  0  0  0
 34 35  2  0  0  0
 34 76  1  0  0  0
 35 77  1  0  0  0
 36 37  1  0  0  0
 36 78  1  0  0  0
 36 79  1  0  0  0
 37 38  1  0  0  0
 37 80  1  0  0  0
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 38 40  1  0  0  0
 38 39  2  0  0  0
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 41 83  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3893207

>  <PubChem CID>
134136959

>  <Formula>
C34H42ClNO5

>  <Molecular Weight>
580.162000

>  <IUPAC Name>
3-[4-[[4-[[4-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]phenyl]methoxy]phenyl]propanoic acid;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
COC1=CC=C(C=C1)CC2CCOC3(C2)CCN(CC3)CC4=CC=C(C=C4)COC5=CC=C(C=C5)CCC(=O)O.Cl

>  <Isomeric SMILES>
COC1=CC=C(C=C1)CC2CCOC3(C2)CCN(CC3)CC4=CC=C(C=C4)COC5=CC=C(C=C5)CCC(=O)O.Cl

>  <InChI Std. ID>
InChI=1S/C34H41NO5.ClH/c1-38-31-11-8-27(9-12-31)22-30-16-21-40-34(23-30)17-19-35(20-18-34)24-28-2-4-29(5-3-28)25-39-32-13-6-26(7-14-32)10-15-33(36)37;/h2-9,11-14,30H,10,15-25H2,1H3,(H,36,37);1H

>  <InChI Key>
LVEDMCRSHKYPOT-UHFFFAOYSA-N

