
 CHEMBL3895206

 49 52  0  0  0  0  0  0  0  0999 V2000
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   -1.4382    1.8590    0.9891 C   0  0  0  0  0
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   -2.3917    1.6141    4.5496 C   0  0  0  0  0
   -1.5503    1.3667    5.6405 C   0  0  0  0  0
   -0.1797    1.1452    5.4503 C   0  0  0  0  0
    0.3689    1.1731    4.1681 C   0  0  0  0  0
   -0.4746    1.4276    3.0948 C   0  0  0  0  0
   -3.8261    2.0910    1.8519 C   0  0  0  0  0
   -4.6622    2.0885    2.7605 O   0  0  0  0  0
   -4.3014    2.3603    0.4124 C   0  0  0  0  0
   -4.2255    3.7987    0.0579 N   0  0  0  0  0
   -5.1205    4.6063    0.9228 C   0  0  0  0  0
   -5.1588    6.0772    0.4810 C   0  0  0  0  0
   -5.5901    6.2041   -0.8779 O   0  0  0  0  0
   -4.7140    5.4733   -1.7567 C   0  0  0  0  0
   -4.6561    3.9813   -1.3522 C   0  0  0  0  0
   -5.2313    5.6539   -3.1909 C   0  0  0  0  0
   -4.4659    4.8501   -4.0921 O   0  0  0  0  0
   -4.9322    4.9247   -5.3890 C   0  0  0  0  0
   -4.6163    3.8632   -6.2217 C   0  0  0  0  0
   -5.0510    3.9092   -7.5426 C   0  0  0  0  0
   -5.7622    5.0192   -7.9848 C   0  0  0  0  0
   -6.0136    6.0394   -7.0809 C   0  0  0  0  0
   -5.6171    6.0157   -5.7899 N   0  0  0  0  0
    0.2517    0.5152    1.2992 H   0  0  0  0  0
    0.6604    2.2496    1.4578 H   0  0  0  0  0
   -1.7004    1.1299    0.2149 H   0  0  0  0  0
   -1.3968    2.8524    0.5289 H   0  0  0  0  0
   -3.4481    1.7838    4.7221 H   0  0  0  0  0
   -1.9675    1.3458    6.6444 H   0  0  0  0  0
    0.4579    0.9502    6.3097 H   0  0  0  0  0
    1.4295    0.9975    4.0195 H   0  0  0  0  0
   -5.3293    1.9832    0.3282 H   0  0  0  0  0
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   -4.7762    4.5804    1.9617 H   0  0  0  0  0
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   -4.1785    6.5542    0.5958 H   0  0  0  0  0
   -3.7054    5.9031   -1.6915 H   0  0  0  0  0
   -5.6491    3.5340   -1.4959 H   0  0  0  0  0
   -3.9511    3.4542   -2.0055 H   0  0  0  0  0
   -5.1547    6.7179   -3.4514 H   0  0  0  0  0
   -6.2917    5.3691   -3.2347 H   0  0  0  0  0
   -4.0544    3.0162   -5.8463 H   0  0  0  0  0
   -4.8344    3.0886   -8.2202 H   0  0  0  0  0
   -6.1099    5.0903   -9.0095 H   0  0  0  0  0
   -6.5564    6.9313   -7.3815 H   0  0  0  0  0
  1  9  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  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 31  1  0  0  0
  6  7  2  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  8  9  2  0  0  0
  8 34  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 35  1  0  0  0
 12 36  1  0  0  0
 13 18  1  0  0  0
 13 14  1  0  0  0
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 14 37  1  0  0  0
 14 38  1  0  0  0
 15 16  1  0  0  0
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 25 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3895206

>  <PubChem CID>
134136334

>  <Formula>
C20H23N3O3

>  <Molecular Weight>
353.422000

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

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(C2=CC=CC=C21)C(=O)CN3CCOC(C3)COC4=CC=CC=N4

>  <Isomeric SMILES>
C1CN(C2=CC=CC=C21)C(=O)CN3CCO[C@@H](C3)COC4=CC=CC=N4

>  <InChI Std. ID>
InChI=1S/C20H23N3O3/c24-20(23-10-8-16-5-1-2-6-18(16)23)14-22-11-12-25-17(13-22)15-26-19-7-3-4-9-21-19/h1-7,9,17H,8,10-15H2/t17-/m0/s1

>  <InChI Key>
UYEFMPKULUMHBG-KRWDZBQOSA-N

