
 CHEMBL1203599

 58 60  0  0  0  0  0  0  0  0999 V2000
    0.7926    0.7070    0.2009 C   0  0  0  0  0
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    1.1252   -0.3457   -3.9434 Cl  0  0  0  0  0
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    6.8288    0.9022    2.1220 H   0  0  0  0  0
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  3 12  1  0  0  0
  3  4  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1203599

>  <PubChem CID>
49861065

>  <Formula>
C23H29ClN2O3

>  <Molecular Weight>
416.946000

>  <IUPAC Name>
(2S,3S)-3-[3-(1H-indol-3-yl)propylamino]-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=C2CC(C(CC2=C(C=C1)OC)O)NCCCC3=CNC4=CC=CC=C43.Cl

>  <Isomeric SMILES>
COC1=C2C[C@@H]([C@H](CC2=C(C=C1)OC)O)NCCCC3=CNC4=CC=CC=C43.Cl

>  <InChI Std. ID>
InChI=1S/C23H28N2O3.ClH/c1-27-22-9-10-23(28-2)18-13-21(26)20(12-17(18)22)24-11-5-6-15-14-25-19-8-4-3-7-16(15)19;/h3-4,7-10,14,20-21,24-26H,5-6,11-13H2,1-2H3;1H/t20-,21-;/m0./s1

>  <InChI Key>
KVAVCBCHSXWXDA-GUTACTQSSA-N

