
 CHEMBL3936182

 53 56  0  0  0  0  0  0  0  0999 V2000
    8.9901    6.4310    2.5530 C   0  0  0  0  0
    8.5787    5.0649    2.0960 C   0  0  0  0  0
    8.4041    4.8930    0.7655 N   0  0  0  0  0
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    7.8037    2.5787    1.1783 C   0  0  0  0  0
    7.9704    2.7899    2.5437 C   0  0  0  0  0
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    7.4437    1.3128    0.8196 O   0  0  0  0  0
    7.2752    1.0364   -0.5744 C   0  0  0  0  0
    8.6089    0.6659   -1.2517 C   0  0  0  0  0
    9.1301   -0.7239   -0.8192 C   0  0  0  0  0
    8.2718   -1.8156   -1.3366 N   0  0  0  0  0
    8.2039   -1.6909   -2.8085 C   0  0  0  0  0
    7.7133   -0.3000   -3.2392 C   0  0  0  0  0
    8.5151    0.7500   -2.6878 O   0  0  0  0  0
    8.8040   -3.1308   -0.9176 C   0  0  0  0  0
    7.8555   -4.3074   -1.2331 C   0  0  0  0  0
    8.4390   -5.5735   -0.7751 N   0  0  0  0  0
    7.7411   -6.2929    0.3103 C   0  0  0  0  0
    8.1272   -7.7772    0.2140 C   0  0  0  0  0
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    7.9195    3.6018   -0.7373 H   0  0  0  0  0
    7.8042    1.9758    3.2439 H   0  0  0  0  0
    8.4895    4.2128    4.0768 H   0  0  0  0  0
    6.7593    1.8497   -1.0983 H   0  0  0  0  0
    6.5762    0.1939   -0.6340 H   0  0  0  0  0
    9.3696    1.3995   -0.9609 H   0  0  0  0  0
    9.1820   -0.7672    0.2749 H   0  0  0  0  0
   10.1515   -0.8493   -1.2046 H   0  0  0  0  0
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    8.0052   -5.8746    1.2876 H   0  0  0  0  0
    7.2875   -8.4279    0.4732 H   0  0  0  0  0
    8.9900   -8.0038    0.8485 H   0  0  0  0  0
    8.5700   -9.9903   -1.5760 H   0  0  0  0  0
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    9.6662   -7.4332   -4.8630 H   0  0  0  0  0
    9.3225   -5.4299   -3.4517 H   0  0  0  0  0
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  5  6  1  0  0  0
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  6  7  2  0  0  0
  6 31  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3936182

>  <PubChem CID>
71062579

>  <Formula>
C21H27N3O2

>  <Molecular Weight>
353.466000

>  <IUPAC Name>
(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(6-methylpyridin-3-yl)oxymethyl]morpholine

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=NC=C(C=C1)OCC2CN(CCO2)CCN3CCC4=CC=CC=C43

>  <Isomeric SMILES>
CC1=NC=C(C=C1)OC[C@@H]2CN(CCO2)CCN3CCC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C21H27N3O2/c1-17-6-7-19(14-22-17)26-16-20-15-23(12-13-25-20)10-11-24-9-8-18-4-2-3-5-21(18)24/h2-7,14,20H,8-13,15-16H2,1H3/t20-/m0/s1

>  <InChI Key>
DQFUJEZGAUMKKT-FQEVSTJZSA-N

