
 CHEMBL3969837

 50 53  0  0  0  0  0  0  0  0999 V2000
   -0.0874    1.4655    0.1099 C   0  0  0  0  0
   -1.3526    1.6375   -0.7505 C   0  0  0  0  0
   -2.4248    0.8284   -0.1423 N   0  0  0  0  0
   -2.0025    0.5792    1.1688 C   0  0  0  0  0
   -2.7261    0.0074    2.2031 C   0  0  0  0  0
   -2.1158   -0.1593    3.4508 C   0  0  0  0  0
   -0.7861    0.2355    3.6539 C   0  0  0  0  0
   -0.0483    0.7883    2.6083 C   0  0  0  0  0
   -0.6713    0.9482    1.3804 C   0  0  0  0  0
   -3.8271    1.1724   -0.4128 C   0  0  0  0  0
   -4.2744    2.4873    0.2765 C   0  0  0  0  0
   -5.6704    2.9078    0.0173 N   0  0  0  0  0
   -5.9991    4.1151    0.8142 C   0  0  0  0  0
   -5.3336    5.4053    0.3003 C   0  0  0  0  0
   -5.6264    5.6390   -1.0818 O   0  0  0  0  0
   -5.2389    4.5129   -1.9031 C   0  0  0  0  0
   -5.9374    3.2293   -1.4048 C   0  0  0  0  0
   -5.6484    4.8200   -3.3527 C   0  0  0  0  0
   -4.6023    5.5302   -4.0340 O   0  0  0  0  0
   -3.6472    4.7112   -4.6054 C   0  0  0  0  0
   -2.6281    5.3470   -5.2954 C   0  0  0  0  0
   -1.6586    4.5631   -5.9137 C   0  0  0  0  0
   -1.7460    3.1781   -5.8227 C   0  0  0  0  0
   -2.7963    2.6335   -5.1010 C   0  0  0  0  0
   -3.7425    3.3688   -4.4764 N   0  0  0  0  0
    0.5885    0.7237   -0.3275 H   0  0  0  0  0
    0.4366    2.4164    0.2428 H   0  0  0  0  0
   -1.1707    1.3232   -1.7841 H   0  0  0  0  0
   -1.6283    2.6983   -0.7782 H   0  0  0  0  0
   -3.7498   -0.3192    2.0561 H   0  0  0  0  0
   -2.6771   -0.6063    4.2677 H   0  0  0  0  0
   -0.3264    0.0972    4.6290 H   0  0  0  0  0
    0.9864    1.0803    2.7546 H   0  0  0  0  0
   -4.4812    0.3473   -0.1059 H   0  0  0  0  0
   -3.9332    1.2594   -1.4992 H   0  0  0  0  0
   -3.5725    3.2855    0.0179 H   0  0  0  0  0
   -4.1731    2.3440    1.3593 H   0  0  0  0  0
   -5.7520    3.9589    1.8711 H   0  0  0  0  0
   -7.0881    4.2471    0.7744 H   0  0  0  0  0
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   -4.2471    5.3886    0.4388 H   0  0  0  0  0
   -4.1495    4.4120   -1.8364 H   0  0  0  0  0
   -7.0240    3.3588   -1.5047 H   0  0  0  0  0
   -5.6870    2.3791   -2.0471 H   0  0  0  0  0
   -6.5168    5.4895   -3.3558 H   0  0  0  0  0
   -5.9544    3.9279   -3.9130 H   0  0  0  0  0
   -2.5958    6.4292   -5.3548 H   0  0  0  0  0
   -0.8490    5.0289   -6.4677 H   0  0  0  0  0
   -1.0167    2.5384   -6.3079 H   0  0  0  0  0
   -2.9098    1.5564   -5.0085 H   0  0  0  0  0
  1  9  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  7  2  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
  8 33  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 11 37  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
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 14 15  1  0  0  0
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 15 16  1  0  0  0
 16 17  1  0  0  0
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 19 20  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3969837

>  <PubChem CID>
134153781

>  <Formula>
C20H25N3O2

>  <Molecular Weight>
339.439000

>  <IUPAC Name>
(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-(pyridin-2-yloxymethyl)morpholine

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(C2=CC=CC=C21)CCN3CCOC(C3)COC4=CC=CC=N4

>  <Isomeric SMILES>
C1CN(C2=CC=CC=C21)CCN3CCO[C@@H](C3)COC4=CC=CC=N4

>  <InChI Std. ID>
InChI=1S/C20H25N3O2/c1-2-6-19-17(5-1)8-10-23(19)12-11-22-13-14-24-18(15-22)16-25-20-7-3-4-9-21-20/h1-7,9,18H,8,10-16H2/t18-/m0/s1

>  <InChI Key>
DSTWBFPFQZUGGQ-SFHVURJKSA-N

