
 CHEMBL553846

 45 47  0  0  0  0  0  0  0  0999 V2000
    0.7967    0.3360   -0.6138 C   0  0  0  0  0
    2.3251    0.1798   -0.5248 C   0  0  0  0  0
    2.8845   -0.6384   -1.6921 C   0  0  0  0  0
    3.4465   -1.8943   -1.3903 C   0  0  0  0  0
    3.9930   -2.6971   -2.3872 C   0  0  0  0  0
    3.9928   -2.2728   -3.7109 C   0  0  0  0  0
    3.4492   -1.0292   -4.0546 C   0  0  0  0  0
    3.4648   -0.6128   -5.3953 C   0  0  0  0  0
    2.9400    0.6270   -5.7533 C   0  0  0  0  0
    2.4050    1.4671   -4.7794 C   0  0  0  0  0
    2.3828    1.0730   -3.4388 C   0  0  0  0  0
    2.8925   -0.1877   -3.0499 C   0  0  0  0  0
    3.0022    1.4865   -0.4093 N   0  0  0  0  0
    4.4404    1.3127   -0.1493 C   0  0  0  0  0
    5.1254    2.6340   -0.0034 C   0  0  0  0  0
    5.8520    3.0451    1.1099 C   0  0  0  0  0
    6.3290    4.2962    0.7934 C   0  0  0  0  0
    5.8840    4.5988   -0.4661 C   0  0  0  0  0
    5.1467    3.5896   -0.9613 N   0  0  0  0  0
    6.2013    5.8044   -1.0859 C   0  0  0  0  0
    7.0056    6.7181   -0.3774 C   0  0  0  0  0
    7.4688    6.4040    0.9236 C   0  0  0  0  0
    7.1259    5.1754    1.5218 C   0  0  0  0  0
    8.4753    7.5466    1.7940 Cl  0  0  0  0  0
    0.6653   -2.3058    2.3940 Cl  0  0  0  0  0
    0.4191    0.8704    0.2834 H   0  0  0  0  0
    0.3217   -0.6681   -0.6388 H   0  0  0  0  0
    0.4524    0.8901   -1.5051 H   0  0  0  0  0
    2.4874   -0.3769    0.4280 H   0  0  0  0  0
    3.4650   -2.2551   -0.3693 H   0  0  0  0  0
    4.4224   -3.6571   -2.1299 H   0  0  0  0  0
    4.4246   -2.9139   -4.4707 H   0  0  0  0  0
    3.8864   -1.2496   -6.1644 H   0  0  0  0  0
    2.9542    0.9411   -6.7890 H   0  0  0  0  0
    2.0065    2.4327   -5.0631 H   0  0  0  0  0
    1.9731    1.7663   -2.7256 H   0  0  0  0  0
    2.5867    2.0083    0.3994 H   0  0  0  0  0
    4.9257    0.7923   -1.0015 H   0  0  0  0  0
    4.5959    0.7094    0.7732 H   0  0  0  0  0
    6.0186    2.4927    2.0255 H   0  0  0  0  0
    4.6907    3.5469   -1.9001 H   0  0  0  0  0
    5.8446    6.0323   -2.0818 H   0  0  0  0  0
    7.2722    7.6627   -0.8335 H   0  0  0  0  0
    7.4737    4.9188    2.5140 H   0  0  0  0  0
   -0.3042   -1.9802    1.4748 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2 13  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
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 14 38  1  0  0  0
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 20 21  2  0  0  0
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 25 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL553846

>  <PubChem CID>
45264864

>  <Formula>
C21H20Cl2N2

>  <Molecular Weight>
371.305000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC3=CC4=C(N3)C=CC(=C4)Cl.Cl

>  <Isomeric SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC3=CC4=C(N3)C=CC(=C4)Cl.Cl

>  <InChI Std. ID>
InChI=1S/C21H19ClN2.ClH/c1-14(19-8-4-6-15-5-2-3-7-20(15)19)23-13-18-12-16-11-17(22)9-10-21(16)24-18;/h2-12,14,23-24H,13H2,1H3;1H

>  <InChI Key>
NCACDGPVUROFRI-UHFFFAOYSA-N

