
 CHEMBL540566

 53 55  0  0  0  0  0  0  0  0999 V2000
    2.8910    1.1936   -0.6544 C   0  0  0  0  0
    3.3947    0.3084    0.5074 C   0  0  0  0  0
    4.7193   -0.4356    0.2523 C   0  0  0  0  0
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    6.6202   -0.9183   -1.2123 C   0  0  0  0  0
    7.1199   -1.8348   -0.2964 C   0  0  0  0  0
    6.4436   -2.0726    0.9043 C   0  0  0  0  0
    6.9625   -3.0030    1.8187 C   0  0  0  0  0
    6.2998   -3.2554    3.0180 C   0  0  0  0  0
    5.1122   -2.5903    3.3141 C   0  0  0  0  0
    4.5757   -1.6654    2.4151 C   0  0  0  0  0
    5.2337   -1.3804    1.1942 C   0  0  0  0  0
    3.4096    1.0602    1.7803 N   0  0  0  0  0
    4.3187    2.2109    1.8429 C   0  0  0  0  0
    4.2105    2.8406    3.2023 C   0  0  0  0  0
    3.7384    4.1239    3.4629 C   0  0  0  0  0
    3.7890    4.2638    4.8329 C   0  0  0  0  0
    3.4260    5.3304    5.6461 C   0  0  0  0  0
    3.5903    5.1929    7.0498 C   0  0  0  0  0
    4.1215    3.9875    7.5849 C   0  0  0  0  0
    4.4705    2.9195    6.7134 C   0  0  0  0  0
    4.2848    3.0988    5.3457 C   0  0  0  0  0
    4.5423    2.2195    4.3595 N   0  0  0  0  0
    4.2852    3.8985    8.9324 O   0  0  0  0  0
    4.9307    2.8727    9.5914 C   0  0  0  0  0
    3.2587    6.1921    7.9118 O   0  0  0  0  0
    2.7476    7.4212    7.5479 C   0  0  0  0  0
   -0.6092    3.5621    1.4424 Cl  0  0  0  0  0
    1.9064    1.6379   -0.3966 H   0  0  0  0  0
    2.7543    0.5817   -1.5713 H   0  0  0  0  0
    3.5966    2.0183   -0.8847 H   0  0  0  0  0
    2.6253   -0.4885    0.6123 H   0  0  0  0  0
    5.0985    0.4702   -1.6991 H   0  0  0  0  0
    7.1493   -0.7455   -2.1409 H   0  0  0  0  0
    8.0375   -2.3643   -0.5266 H   0  0  0  0  0
    7.8822   -3.5339    1.6018 H   0  0  0  0  0
    6.7068   -3.9721    3.7194 H   0  0  0  0  0
    4.6008   -2.7932    4.2461 H   0  0  0  0  0
    3.6506   -1.1851    2.6882 H   0  0  0  0  0
    2.4346    1.3847    1.9879 H   0  0  0  0  0
    4.0335    2.9692    1.0844 H   0  0  0  0  0
    5.3689    1.8951    1.6668 H   0  0  0  0  0
    3.3922    4.8547    2.7436 H   0  0  0  0  0
    3.0306    6.2344    5.2026 H   0  0  0  0  0
    4.8708    1.9859    7.0841 H   0  0  0  0  0
    4.9196    1.2512    4.4648 H   0  0  0  0  0
    5.9928    2.8261    9.2677 H   0  0  0  0  0
    4.4262    1.9025    9.4006 H   0  0  0  0  0
    4.9054    3.0733   10.6822 H   0  0  0  0  0
    3.4719    7.9620    6.9021 H   0  0  0  0  0
    1.7793    7.2957    7.0180 H   0  0  0  0  0
    2.5723    8.0247    8.4620 H   0  0  0  0  0
   -0.0101    4.2298    2.4851 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2 13  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  5  6  2  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  9 10  2  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
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 13 14  1  0  0  0
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 14 15  1  0  0  0
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 15 23  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
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 17 22  1  0  0  0
 17 18  2  0  0  0
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 20 21  1  0  0  0
 20 24  1  0  0  0
 21 22  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL540566

>  <PubChem CID>
45264908

>  <Formula>
C23H25ClN2O2

>  <Molecular Weight>
396.915000

>  <IUPAC Name>
N-[(5,6-dimethoxy-1H-indol-2-yl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC3=CC4=CC(=C(C=C4N3)OC)OC.Cl

>  <Isomeric SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC3=CC4=CC(=C(C=C4N3)OC)OC.Cl

>  <InChI Std. ID>
InChI=1S/C23H24N2O2.ClH/c1-15(19-10-6-8-16-7-4-5-9-20(16)19)24-14-18-11-17-12-22(26-2)23(27-3)13-21(17)25-18;/h4-13,15,24-25H,14H2,1-3H3;1H

>  <InChI Key>
SZZQPZZHMIYEPY-UHFFFAOYSA-N

