
 CHEMBL3633653

 55 58  0  0  0  0  0  0  0  0999 V2000
    1.7220   -0.0562    0.7348 C   0  0  0  0  0
    2.7488   -1.0929    0.5766 N   0  0  0  0  0
    3.3334   -1.0580   -0.7868 C   0  0  0  0  0
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    4.0207   -2.2375   -5.0957 N   0  0  0  0  0
    3.5969   -0.9509   -5.3049 C   0  0  0  0  0
    3.7462   -0.1222   -6.4232 C   0  0  0  0  0
    3.2010    1.1624   -6.3534 C   0  0  0  0  0
    2.5351    1.5958   -5.2101 C   0  0  0  0  0
    2.3966    0.7506   -4.1027 C   0  0  0  0  0
    2.9366   -0.5525   -4.1484 C   0  0  0  0  0
    4.0466   -4.0443   -3.4086 C   0  0  0  0  0
    5.3265   -4.5492   -3.6892 C   0  0  0  0  0
    5.6783   -5.8545   -3.3335 C   0  0  0  0  0
    4.7588   -6.6691   -2.6789 C   0  0  0  0  0
    3.4879   -6.1806   -2.3862 C   0  0  0  0  0
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    3.7930   -0.8808    1.6107 C   0  0  0  0  0
    4.8736   -1.9716    1.5938 C   0  0  0  0  0
    6.0411   -1.6632    1.3280 O   0  0  0  0  0
    4.5117   -3.2831    1.8798 N   0  0  0  0  0
    3.2823   -3.6417    2.5918 C   0  0  0  0  0
    2.8924   -5.1065    2.3695 C   0  0  0  0  0
    3.9871   -5.9881    2.6552 O   0  0  0  0  0
    5.0864   -5.7001    1.7787 C   0  0  0  0  0
    5.5888   -4.2692    1.9763 C   0  0  0  0  0
    1.2906   -0.0969    1.7416 H   0  0  0  0  0
    0.8868   -0.2069    0.0447 H   0  0  0  0  0
    2.1244    0.9513    0.5764 H   0  0  0  0  0
    4.2372   -1.6777   -0.8253 H   0  0  0  0  0
    3.6485   -0.0389   -1.0483 H   0  0  0  0  0
    1.4568   -1.0152   -1.8935 H   0  0  0  0  0
    2.0451   -2.6182   -1.5441 H   0  0  0  0  0
    4.5149   -2.7891   -5.7812 H   0  0  0  0  0
    4.2655   -0.4586   -7.3145 H   0  0  0  0  0
    3.2990    1.8319   -7.2048 H   0  0  0  0  0
    2.1180    2.5990   -5.1752 H   0  0  0  0  0
    1.8753    1.1010   -3.2174 H   0  0  0  0  0
    6.0696   -3.9281   -4.1839 H   0  0  0  0  0
    6.6700   -6.2323   -3.5687 H   0  0  0  0  0
    5.0300   -7.6845   -2.4018 H   0  0  0  0  0
    2.7657   -6.8148   -1.8787 H   0  0  0  0  0
    2.1209   -4.5403   -2.5545 H   0  0  0  0  0
    3.3517   -0.8721    2.6150 H   0  0  0  0  0
    4.2865    0.0898    1.4708 H   0  0  0  0  0
    2.4499   -2.9973    2.3050 H   0  0  0  0  0
    3.4855   -3.4698    3.6556 H   0  0  0  0  0
    2.0657   -5.3760    3.0344 H   0  0  0  0  0
    2.5598   -5.2740    1.3382 H   0  0  0  0  0
    5.8881   -6.4113    2.0021 H   0  0  0  0  0
    4.7702   -5.8688    0.7426 H   0  0  0  0  0
    6.0196   -4.1610    2.9791 H   0  0  0  0  0
    6.3755   -4.0499    1.2463 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 30  1  0  0  0
  1 31  1  0  0  0
  2 20  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5 13  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 14  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
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 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
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 16 17  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3633653

>  <PubChem CID>
122195444

>  <Formula>
C23H27N3O2

>  <Molecular Weight>
377.488000

>  <IUPAC Name>
2-[methyl-[2-(2-phenyl-1H-indol-3-yl)ethyl]amino]-1-morpholin-4-ylethanone

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(CCC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)CC(=O)N4CCOCC4

>  <Isomeric SMILES>
CN(CCC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)CC(=O)N4CCOCC4

>  <InChI Std. ID>
InChI=1S/C23H27N3O2/c1-25(17-22(27)26-13-15-28-16-14-26)12-11-20-19-9-5-6-10-21(19)24-23(20)18-7-3-2-4-8-18/h2-10,24H,11-17H2,1H3

>  <InChI Key>
BMRHNVJLVLCNEE-UHFFFAOYSA-N

