
 CHEMBL3752122

 53 57  0  0  0  0  0  0  0  0999 V2000
    3.4562   -0.7170    2.0671 C   0  0  0  0  0
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    2.9823    1.3152    0.7034 N   0  0  0  0  0
    4.3732    1.6338    0.3733 C   0  0  0  0  0
    4.5360    3.1089    0.2044 C   0  0  0  0  0
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    4.1456    7.6736    0.7958 C   0  0  0  0  0
    3.7155    6.4635    1.3469 C   0  0  0  0  0
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    6.0438    3.3547   -1.8044 C   0  0  0  0  0
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    6.9587    2.3107   -1.6134 C   0  0  0  0  0
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    3.1419   -1.7514    2.2472 H   0  0  0  0  0
    3.2394   -0.1362    2.9707 H   0  0  0  0  0
    3.2221   -0.6519   -0.0278 H   0  0  0  0  0
    1.0061    0.0630    2.9082 H   0  0  0  0  0
   -1.3725   -0.5082    2.9990 H   0  0  0  0  0
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    5.0464    1.3192    1.1787 H   0  0  0  0  0
    6.1304    6.5343   -1.7237 H   0  0  0  0  0
    5.3320    8.6466   -0.7122 H   0  0  0  0  0
    3.8072    8.6106    1.2316 H   0  0  0  0  0
    3.0520    6.4482    2.2053 H   0  0  0  0  0
    3.3024    3.6639    1.8238 H   0  0  0  0  0
    5.2091    4.7173   -3.2659 H   0  0  0  0  0
    6.5818    3.8859   -5.1350 H   0  0  0  0  0
    8.1738    2.0150   -4.7801 H   0  0  0  0  0
    8.4112    1.0042   -2.5266 H   0  0  0  0  0
    7.1022    1.8763   -0.6275 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
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  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
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M  END

>  <Chemical Name>
CHEMBL3752122

>  <PubChem CID>
127026334

>  <Formula>
C27H24N2

>  <Molecular Weight>
376.503000

>  <IUPAC Name>
(1R)-1-naphthalen-1-yl-N-[(3-phenyl-1H-indol-2-yl)methyl]ethanamine

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC(C1=CC=CC2=CC=CC=C21)NCC3=C(C4=CC=CC=C4N3)C5=CC=CC=C5

>  <Isomeric SMILES>
C[C@H](C1=CC=CC2=CC=CC=C21)NCC3=C(C4=CC=CC=C4N3)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C27H24N2/c1-19(22-16-9-13-20-10-5-6-14-23(20)22)28-18-26-27(21-11-3-2-4-12-21)24-15-7-8-17-25(24)29-26/h2-17,19,28-29H,18H2,1H3/t19-/m1/s1

>  <InChI Key>
JRCXDOBUWGNQNR-LJQANCHMSA-N

