
 CHEMBL1935579

 63 65  0  0  0  0  0  0  0  0999 V2000
    1.0435   -0.1801    0.7525 C   0  0  0  0  0
    2.4550   -0.1331    0.1996 C   0  0  0  0  0
    3.1326   -1.2616   -0.1936 C   0  0  0  0  0
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    2.4831    2.4223    0.1366 C   0  0  0  0  0
    3.1897    3.6250    0.0073 C   0  0  0  0  0
    4.5920    3.6181   -0.1534 C   0  0  0  0  0
    5.2703    2.3979   -0.1717 C   0  0  0  0  0
    5.3200    4.7596   -0.2867 O   0  0  0  0  0
    4.8000    6.0385   -0.2949 C   0  0  0  0  0
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    6.7720    6.9099   -1.7459 C   0  0  0  0  0
    5.9333    6.9617   -3.0330 C   0  0  0  0  0
    7.8503    7.9823   -1.7940 C   0  0  0  0  0
    9.2104    7.6201   -1.7935 C   0  0  0  0  0
   10.2038    8.6044   -1.8418 C   0  0  0  0  0
    9.8519    9.9556   -1.8894 C   0  0  0  0  0
    8.5062   10.3271   -1.8903 C   0  0  0  0  0
    7.5084    9.3497   -1.8443 C   0  0  0  0  0
    2.6000   -2.6713    0.0010 C   0  0  0  0  0
    2.5671   -3.0008    1.4413 N   0  0  0  0  0
    2.3728   -4.4385    1.6991 C   0  0  0  0  0
    3.7124   -4.5613    2.4169 C   0  0  0  0  0
    3.9205   -3.1114    2.0188 C   0  0  0  0  0
    3.6032   -4.7439    3.9086 C   0  0  0  0  0
    4.2791   -5.5966    4.4641 O   0  0  0  0  0
    2.7753   -3.9607    4.6346 O   0  0  0  0  0
   -1.9582    2.7788    0.0224 Cl  0  0  0  0  0
    0.6146   -1.1971    0.8179 H   0  0  0  0  0
    0.3682    0.4095    0.0974 H   0  0  0  0  0
    1.0302    0.2569    1.7725 H   0  0  0  0  0
    5.0325   -2.0765   -0.9270 H   0  0  0  0  0
    4.3868   -0.6891   -1.8649 H   0  0  0  0  0
    5.3580   -0.5006    1.0324 H   0  0  0  0  0
    6.3501   -0.0095   -0.3902 H   0  0  0  0  0
    1.4085    2.4609    0.2455 H   0  0  0  0  0
    2.6373    4.5550    0.0276 H   0  0  0  0  0
    6.3477    2.3898   -0.2789 H   0  0  0  0  0
    4.2816    6.2355    0.6690 H   0  0  0  0  0
    4.0610    6.1437   -1.1164 H   0  0  0  0  0
    6.5967    6.9973    0.4189 H   0  0  0  0  0
    5.4468    8.0786   -0.4415 H   0  0  0  0  0
    7.2551    5.9074   -1.7121 H   0  0  0  0  0
    5.3821    7.9216   -3.1173 H   0  0  0  0  0
    5.2043    6.1268   -3.0655 H   0  0  0  0  0
    6.5963    6.8501   -3.9179 H   0  0  0  0  0
    9.5013    6.5778   -1.7580 H   0  0  0  0  0
   11.2480    8.3193   -1.8425 H   0  0  0  0  0
   10.6220   10.7153   -1.9262 H   0  0  0  0  0
    8.2346   11.3743   -1.9276 H   0  0  0  0  0
    6.4717    9.6588   -1.8480 H   0  0  0  0  0
    3.2535   -3.3939   -0.5388 H   0  0  0  0  0
    1.5919   -2.7757   -0.4545 H   0  0  0  0  0
    2.3566   -5.0547    0.7699 H   0  0  0  0  0
    1.4897   -4.6164    2.3500 H   0  0  0  0  0
    4.4226   -5.2538    1.9105 H   0  0  0  0  0
    4.0533   -2.4034    2.8660 H   0  0  0  0  0
    4.7377   -3.0341    1.2662 H   0  0  0  0  0
    2.7050   -4.0613    5.5942 H   0  0  0  0  0
   -1.1217    2.7784   -1.0694 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
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 10 12  1  0  0  0
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 30 62  1  0  0  0
 31 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1935579

>  <PubChem CID>
57400475

>  <Formula>
C26H32ClNO3

>  <Molecular Weight>
441.996000

>  <IUPAC Name>
1-[[1-methyl-6-(3-phenylbutoxy)-3,4-dihydronaphthalen-2-yl]methyl]azetidine-3-carboxylic acid;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(CCC2=C1C=CC(=C2)OCCC(C)C3=CC=CC=C3)CN4CC(C4)C(=O)O.Cl

>  <Isomeric SMILES>
CC1=C(CCC2=C1C=CC(=C2)OCCC(C)C3=CC=CC=C3)CN4CC(C4)C(=O)O.Cl

>  <InChI Std. ID>
InChI=1S/C26H31NO3.ClH/c1-18(20-6-4-3-5-7-20)12-13-30-24-10-11-25-19(2)22(9-8-21(25)14-24)15-27-16-23(17-27)26(28)29;/h3-7,10-11,14,18,23H,8-9,12-13,15-17H2,1-2H3,(H,28,29);1H

>  <InChI Key>
ANQVIQIGHGBHKO-UHFFFAOYSA-N

