
 CHEMBL1788292

 45 47  0  0  0  0  0  0  0  0999 V2000
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    2.5923   -0.2626   -0.2024 C   0  0  0  0  0
    2.9843   -0.7953   -1.5837 C   0  0  0  0  0
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    4.5908   -2.0983   -2.8812 C   0  0  0  0  0
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    1.9086   -0.9938   -5.1710 C   0  0  0  0  0
    0.7338   -0.2455   -5.1535 C   0  0  0  0  0
    0.2983    0.3444   -3.9688 C   0  0  0  0  0
    1.0274    0.1831   -2.7871 C   0  0  0  0  0
    2.2141   -0.5860   -2.7717 C   0  0  0  0  0
    2.4955    1.2122   -0.2148 N   0  0  0  0  0
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    2.4770    3.2660    1.1209 C   0  0  0  0  0
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    3.4398    7.6455    1.6426 C   0  0  0  0  0
    3.8745    6.3653    2.0354 C   0  0  0  0  0
    3.1748    5.2627    1.5506 C   0  0  0  0  0
    3.4161    3.9654    1.8013 N   0  0  0  0  0
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    3.9598    8.5243    2.0015 H   0  0  0  0  0
    4.7245    6.2436    2.6945 H   0  0  0  0  0
    4.1739    3.5764    2.4061 H   0  0  0  0  0
   -0.9291    2.5850    1.2950 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1788292

>  <PubChem CID>
46780156

>  <Formula>
C21H21ClN2

>  <Molecular Weight>
336.863000

>  <IUPAC Name>
(1S)-N-(1H-indol-2-ylmethyl)-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=CC=CC=C4N3.Cl

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

>  <InChI Std. ID>
InChI=1S/C21H20N2.ClH/c1-15(19-11-6-9-16-7-2-4-10-20(16)19)22-14-18-13-17-8-3-5-12-21(17)23-18;/h2-13,15,22-23H,14H2,1H3;1H/t15-;/m0./s1

>  <InChI Key>
KFILKQPBQZIRST-RSAXXLAASA-N

