
 CHEMBL126438

 45 48  0  0  0  0  0  0  0  0999 V2000
   -2.3565    1.4628   -0.0857 C   0  0  0  0  0
   -3.2158    0.3219   -0.6862 C   0  0  0  0  0
   -2.9265   -1.0036   -0.0748 N   0  0  0  0  0
   -1.5270   -1.4398   -0.3353 C   0  0  0  0  0
   -0.5613   -0.3149   -0.1187 C   0  0  0  0  0
   -0.9481    1.0047   -0.0289 C   0  0  0  0  0
    0.1581    1.7849    0.1224 N   0  0  0  0  0
    1.2859    0.9905    0.1002 C   0  0  0  0  0
    2.6377    1.3452    0.1834 C   0  0  0  0  0
    3.5829    0.3161    0.1303 C   0  0  0  0  0
    3.1894   -1.0144    0.0062 C   0  0  0  0  0
    1.8344   -1.3543   -0.0769 C   0  0  0  0  0
    0.8609   -0.3359   -0.0343 C   0  0  0  0  0
   -3.9015   -1.9939   -0.5664 C   0  0  0  0  0
   -3.8249   -3.3707    0.1076 C   0  0  0  0  0
   -4.0633   -3.3268    1.6153 C   0  0  0  0  0
   -5.4029   -2.8979    1.8633 O   0  0  0  0  0
   -5.7908   -2.8144    3.1728 C   0  0  0  0  0
   -5.0060   -3.1292    4.2834 C   0  0  0  0  0
   -5.5319   -3.0085    5.5734 C   0  0  0  0  0
   -6.8419   -2.5709    5.7594 C   0  0  0  0  0
   -7.6285   -2.2517    4.6553 C   0  0  0  0  0
   -7.1025   -2.3738    3.3678 C   0  0  0  0  0
   -2.7054    1.6965    0.9270 H   0  0  0  0  0
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   -1.4156   -1.7996   -1.3656 H   0  0  0  0  0
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    0.1652    2.7908    0.2184 H   0  0  0  0  0
    2.9480    2.3800    0.2799 H   0  0  0  0  0
    4.6410    0.5596    0.1869 H   0  0  0  0  0
    3.9419   -1.7986   -0.0303 H   0  0  0  0  0
    1.5392   -2.3941   -0.1774 H   0  0  0  0  0
   -3.7853   -2.1293   -1.6502 H   0  0  0  0  0
   -4.9165   -1.6054   -0.4125 H   0  0  0  0  0
   -2.8594   -3.8454   -0.0985 H   0  0  0  0  0
   -4.5924   -4.0066   -0.3522 H   0  0  0  0  0
   -3.3459   -2.6503    2.0937 H   0  0  0  0  0
   -3.9268   -4.3413    2.0095 H   0  0  0  0  0
   -3.9816   -3.4706    4.1820 H   0  0  0  0  0
   -4.9151   -3.2560    6.4336 H   0  0  0  0  0
   -7.2477   -2.4782    6.7632 H   0  0  0  0  0
   -8.6497   -1.9079    4.7937 H   0  0  0  0  0
   -7.7187   -2.1233    2.5081 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  2  0  0  0
  5 13  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
 10 32  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 13  2  0  0  0
 12 34  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
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 15 16  1  0  0  0
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 15 38  1  0  0  0
 16 17  1  0  0  0
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 16 40  1  0  0  0
 17 18  1  0  0  0
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 18 23  1  0  0  0
 19 20  1  0  0  0
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 23 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL126438

>  <PubChem CID>
22980542

>  <Formula>
C20H22N2O

>  <Molecular Weight>
306.409000

>  <IUPAC Name>
2-(3-phenoxypropyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CC2=C1NC3=CC=CC=C23)CCCOC4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CC2=C1NC3=CC=CC=C23)CCCOC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C20H22N2O/c1-2-7-16(8-3-1)23-14-6-12-22-13-11-20-18(15-22)17-9-4-5-10-19(17)21-20/h1-5,7-10,21H,6,11-15H2

>  <InChI Key>
IXCFIKTWJYDNHO-UHFFFAOYSA-N

