
 CHEMBL3752630

 55 58  0  0  0  0  0  0  0  0999 V2000
    1.1792    0.0380    0.4878 C   0  0  0  0  0
    2.6853    0.1995    0.7206 C   0  0  0  0  0
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    5.2085   -4.1298    1.2699 C   0  0  0  0  0
    4.9789   -4.1514    2.6424 C   0  0  0  0  0
    4.2185   -3.1481    3.2236 C   0  0  0  0  0
    3.7014   -2.1181    2.4328 C   0  0  0  0  0
    3.9240   -2.0532    1.0343 C   0  0  0  0  0
    3.1227    1.4986    0.1735 N   0  0  0  0  0
    4.5520    1.7259    0.3475 C   0  0  0  0  0
    4.8727    3.1380    0.0119 C   0  0  0  0  0
    5.5770    3.6989   -1.0340 C   0  0  0  0  0
    5.6905    5.0971   -0.7848 C   0  0  0  0  0
    6.2936    6.1619   -1.4739 C   0  0  0  0  0
    6.2472    7.4424   -0.9076 C   0  0  0  0  0
    5.6248    7.6945    0.3263 C   0  0  0  0  0
    5.0155    6.6322    1.0213 C   0  0  0  0  0
    5.0435    5.3563    0.4231 C   0  0  0  0  0
    4.4661    4.1707    0.8192 N   0  0  0  0  0
    4.3164    6.8587    2.1850 O   0  0  0  0  0
    4.8441    6.1195    3.2875 C   0  0  0  0  0
    5.6498    9.0093    0.7272 O   0  0  0  0  0
    5.7018    9.2537    2.1255 C   0  0  0  0  0
    6.7905    8.4829   -1.6249 O   0  0  0  0  0
    8.1993    8.5627   -1.4194 C   0  0  0  0  0
    0.6232    0.8722    0.9317 H   0  0  0  0  0
    0.8109   -0.8853    0.9491 H   0  0  0  0  0
    0.9305   -0.0021   -0.5783 H   0  0  0  0  0
    2.8319    0.2855    1.8006 H   0  0  0  0  0
    3.2549   -0.3627   -1.8904 H   0  0  0  0  0
    4.5700   -2.2055   -2.8273 H   0  0  0  0  0
    5.5048   -3.9411   -1.3636 H   0  0  0  0  0
    5.7996   -4.9309    0.8299 H   0  0  0  0  0
    5.3853   -4.9534    3.2518 H   0  0  0  0  0
    4.0213   -3.1636    4.2914 H   0  0  0  0  0
    3.1003   -1.3704    2.9427 H   0  0  0  0  0
    2.8915    1.5675   -0.8147 H   0  0  0  0  0
    5.1481    1.0662   -0.2928 H   0  0  0  0  0
    4.8516    1.5380    1.3857 H   0  0  0  0  0
    6.0023    3.1594   -1.8702 H   0  0  0  0  0
    6.7760    6.0024   -2.4322 H   0  0  0  0  0
    3.8564    4.0635    1.6171 H   0  0  0  0  0
    4.8475    6.7770    4.1615 H   0  0  0  0  0
    5.8682    5.7653    3.1274 H   0  0  0  0  0
    4.1848    5.2739    3.5060 H   0  0  0  0  0
    6.0992   10.2624    2.2713 H   0  0  0  0  0
    6.3756    8.5620    2.6418 H   0  0  0  0  0
    4.6973    9.2375    2.5586 H   0  0  0  0  0
    8.4609    9.6125   -1.2582 H   0  0  0  0  0
    8.7088    8.2164   -2.3252 H   0  0  0  0  0
    8.5568    7.9838   -0.5577 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2 13  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  5  6  2  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  9 10  2  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
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 13 14  1  0  0  0
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 15 23  1  0  0  0
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 17 22  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
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 19 20  2  0  0  0
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 20 21  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3752630

>  <PubChem CID>
57385844

>  <Formula>
C24H26N2O3

>  <Molecular Weight>
390.483000

>  <IUPAC Name>
(1R)-1-naphthalen-1-yl-N-[(5,6,7-trimethoxy-1H-indol-2-yl)methyl]ethanamine

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

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

>  <Isomeric SMILES>
C[C@H](C1=CC=CC2=CC=CC=C21)NCC3=CC4=CC(=C(C(=C4N3)OC)OC)OC

>  <InChI Std. ID>
InChI=1S/C24H26N2O3/c1-15(19-11-7-9-16-8-5-6-10-20(16)19)25-14-18-12-17-13-21(27-2)23(28-3)24(29-4)22(17)26-18/h5-13,15,25-26H,14H2,1-4H3/t15-/m1/s1

>  <InChI Key>
MRSDWZFWNUOIMY-OAHLLOKOSA-N

