
 CHEMBL319464

 56 60  0  0  0  0  0  0  0  0999 V2000
    2.5315   -0.7621   -3.8917 C   0  0  0  0  0
    1.4194   -0.0998   -3.0570 C   0  0  0  0  0
    1.5467   -0.4885   -1.5571 C   0  0  0  0  0
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    0.2734   -2.6233   -1.0936 C   0  0  0  0  0
    2.8446   -5.3023   -1.1099 C   0  0  0  0  0
    2.3756   -6.3821   -1.4591 O   0  0  0  0  0
    4.2416   -5.2580   -0.5897 C   0  0  0  0  0
    4.4466   -4.6134    0.6445 C   0  0  0  0  0
    5.7086   -4.6123    1.2310 C   0  0  0  0  0
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    7.6644   -6.5952   -1.2192 C   0  0  0  0  0
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    6.2853   -7.2590   -3.0735 C   0  0  0  0  0
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    1.3263    1.3777   -3.2246 N   0  0  0  0  0
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    0.7902    3.2850   -4.7625 C   0  0  0  0  0
    2.0307    3.9282   -4.4451 O   0  0  0  0  0
    2.3985    3.6315   -3.0934 C   0  0  0  0  0
    2.5595    2.1155   -2.8797 C   0  0  0  0  0
    2.5052   -0.4588   -4.9411 H   0  0  0  0  0
    2.4145   -1.8506   -3.8972 H   0  0  0  0  0
    3.5258   -0.5339   -3.4945 H   0  0  0  0  0
    0.4645   -0.5174   -3.4060 H   0  0  0  0  0
    0.7664    0.0015   -0.9626 H   0  0  0  0  0
    2.5102   -0.1706   -1.1416 H   0  0  0  0  0
    3.5244   -2.4008   -1.3989 H   0  0  0  0  0
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   -2.5079   -5.2481   -0.5245 H   0  0  0  0  0
   -3.0861   -2.8492   -0.6569 H   0  0  0  0  0
   -1.3277   -1.1439   -1.0392 H   0  0  0  0  0
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    5.8632   -4.1185    2.1872 H   0  0  0  0  0
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    1.6157    1.3990   -5.3341 H   0  0  0  0  0
    0.5560    3.5216   -5.8059 H   0  0  0  0  0
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    3.3499    4.1346   -2.8924 H   0  0  0  0  0
    1.6493    4.0539   -2.4132 H   0  0  0  0  0
    3.3953    1.7709   -3.4992 H   0  0  0  0  0
    2.8212    1.9521   -1.8294 H   0  0  0  0  0
  1  2  1  0  0  0
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  1 33  1  0  0  0
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  2  3  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4 12  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  6 13  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL319464

>  <PubChem CID>
10386161

>  <Formula>
C26H26N2O2

>  <Molecular Weight>
398.506000

>  <IUPAC Name>
[1-(2-morpholin-4-ylpropyl)indol-3-yl]-naphthalen-1-ylmethanone

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(CN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43)N5CCOCC5

>  <Isomeric SMILES>
CC(CN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43)N5CCOCC5

>  <InChI Std. ID>
InChI=1S/C26H26N2O2/c1-19(27-13-15-30-16-14-27)17-28-18-24(22-10-4-5-12-25(22)28)26(29)23-11-6-8-20-7-2-3-9-21(20)23/h2-12,18-19H,13-17H2,1H3

>  <InChI Key>
ANSTVJWVIZXBHO-UHFFFAOYSA-N

