
 CHEMBL2380429

 57 61  0  0  0  0  0  0  0  0999 V2000
    0.9988   -0.6405    0.1117 C   0  0  0  0  0
    2.4048   -0.4457    0.0486 O   0  0  0  0  0
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    4.1696    2.7635    2.1001 C   0  0  0  0  0
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    4.3139    0.8678    0.6117 C   0  0  0  0  0
    5.3086    0.1876   -0.0684 N   0  0  0  0  0
    6.4655    0.9134   -0.0547 C   0  0  0  0  0
    6.2665    2.0703    0.6814 C   0  0  0  0  0
    7.3048    3.0941    0.8026 C   0  0  0  0  0
    8.4897    2.8235    0.5937 O   0  0  0  0  0
    6.9915    4.5012    1.1804 C   0  0  0  0  0
    7.8688    5.0626    2.1273 C   0  0  0  0  0
    7.7097    6.3755    2.5524 C   0  0  0  0  0
    6.6633    7.1380    2.0447 C   0  0  0  0  0
    5.7804    6.6140    1.0891 C   0  0  0  0  0
    4.7359    7.4191    0.6048 C   0  0  0  0  0
    3.8486    6.9458   -0.3579 C   0  0  0  0  0
    4.0172    5.6709   -0.8760 C   0  0  0  0  0
    5.0629    4.8648   -0.4180 C   0  0  0  0  0
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    4.9690   -2.2563    0.2971 C   0  0  0  0  0
    4.8744   -3.6111   -0.2924 N   0  0  0  0  0
    3.7601   -3.7261   -1.2592 C   0  0  0  0  0
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    3.3648   -6.0764   -0.6797 O   0  0  0  0  0
    4.4607   -6.0221    0.2427 C   0  0  0  0  0
    4.6523   -4.6003    0.7920 C   0  0  0  0  0
    0.4562    0.2512   -0.2181 H   0  0  0  0  0
    0.6927   -0.9457    1.1168 H   0  0  0  0  0
    0.7460   -1.4547   -0.5750 H   0  0  0  0  0
    1.1538    1.2520    1.8151 H   0  0  0  0  0
    2.2379    3.0862    2.9891 H   0  0  0  0  0
    4.6120    3.6093    2.6190 H   0  0  0  0  0
    7.3480    0.5761   -0.5807 H   0  0  0  0  0
    8.6930    4.4724    2.5262 H   0  0  0  0  0
    8.4010    6.8045    3.2728 H   0  0  0  0  0
    6.5524    8.1640    2.3928 H   0  0  0  0  0
    4.6032    8.4328    0.9787 H   0  0  0  0  0
    3.0381    7.5775   -0.7115 H   0  0  0  0  0
    3.3379    5.2955   -1.6368 H   0  0  0  0  0
    5.1638    3.8844   -0.8778 H   0  0  0  0  0
    6.0957   -1.2939   -1.2896 H   0  0  0  0  0
    4.3591   -1.0246   -1.4346 H   0  0  0  0  0
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    5.8234   -2.2454    0.9887 H   0  0  0  0  0
    3.9441   -3.0894   -2.1304 H   0  0  0  0  0
    2.8214   -3.4051   -0.7896 H   0  0  0  0  0
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    4.4830   -5.4959   -2.3249 H   0  0  0  0  0
    4.2317   -6.7078    1.0651 H   0  0  0  0  0
    5.3698   -6.3849   -0.2508 H   0  0  0  0  0
    3.7560   -4.3271    1.3655 H   0  0  0  0  0
    5.5061   -4.5989    1.4790 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 35  1  0  0  0
  5  6  2  0  0  0
  5 36  1  0  0  0
  6  7  1  0  0  0
  6 37  1  0  0  0
  7 11  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
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 31 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2380429

>  <PubChem CID>
71680724

>  <Formula>
C26H26N2O3

>  <Molecular Weight>
414.505000

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

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=CC2=C1N(C=C2C(=O)C3=CC=CC4=CC=CC=C43)CCN5CCOCC5

>  <Isomeric SMILES>
COC1=CC=CC2=C1N(C=C2C(=O)C3=CC=CC4=CC=CC=C43)CCN5CCOCC5

>  <InChI Std. ID>
InChI=1S/C26H26N2O3/c1-30-24-11-5-9-21-23(18-28(25(21)24)13-12-27-14-16-31-17-15-27)26(29)22-10-4-7-19-6-2-3-8-20(19)22/h2-11,18H,12-17H2,1H3

>  <InChI Key>
JBUVJMMEQOHCHV-UHFFFAOYSA-N

