
 CHEMBL92774

 56 60  0  0  0  0  0  0  0  0999 V2000
    1.2079    2.0098   -1.6140 C   0  0  0  0  0
    2.1967    1.6991   -2.7221 C   0  0  0  0  0
    3.5896    1.3208   -2.2075 C   0  0  0  0  0
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    3.8852    1.8482    0.2907 C   0  0  0  0  0
    3.0049    1.7467    1.5384 C   0  0  0  0  0
    2.6812    0.4029    2.0138 N   0  0  0  0  0
    2.4229   -0.6094    0.9550 C   0  0  0  0  0
    2.3107   -0.0070   -0.4667 C   0  0  0  0  0
    1.0237    0.8157   -0.6849 C   0  0  0  0  0
    3.4240   -1.7894    0.8277 C   0  0  0  0  0
    4.7247   -1.4118    0.1624 C   0  0  0  0  0
    4.8347   -0.2463   -0.6248 C   0  0  0  0  0
    6.0821    0.0462   -1.2123 C   0  0  0  0  0
    7.1726   -0.8110   -1.0575 C   0  0  0  0  0
    7.0357   -1.9662   -0.3055 C   0  0  0  0  0
    5.8254   -2.2754    0.3030 C   0  0  0  0  0
    8.1236   -2.7781   -0.1801 O   0  0  0  0  0
    3.4956   -0.0492    3.1488 C   0  0  0  0  0
    3.3306    0.7597    4.4509 C   0  0  0  0  0
    4.1845    0.1648    5.4376 O   0  0  0  0  0
    4.3245    0.8678    6.6023 C   0  0  0  0  0
    5.5355    0.6804    7.2723 C   0  0  0  0  0
    5.7846    1.3348    8.4796 C   0  0  0  0  0
    4.8136    2.1679    9.0307 C   0  0  0  0  0
    3.5954    2.3435    8.3752 C   0  0  0  0  0
    3.3491    1.6936    7.1624 C   0  0  0  0  0
    0.2392    2.2883   -2.0447 H   0  0  0  0  0
    1.5506    2.8814   -1.0460 H   0  0  0  0  0
    2.2805    2.5553   -3.4018 H   0  0  0  0  0
    1.8030    0.8696   -3.3242 H   0  0  0  0  0
    4.2418    2.2016   -2.2742 H   0  0  0  0  0
    3.9993    0.6016   -2.9301 H   0  0  0  0  0
    4.9349    1.8646    0.6144 H   0  0  0  0  0
    3.7115    2.8383   -0.1498 H   0  0  0  0  0
    3.4612    2.3662    2.3169 H   0  0  0  0  0
    2.0600    2.2644    1.3408 H   0  0  0  0  0
    1.4563   -1.0617    1.2147 H   0  0  0  0  0
    2.2320   -0.8414   -1.1830 H   0  0  0  0  0
    0.2751    0.1441   -1.1276 H   0  0  0  0  0
    0.5687    1.1475    0.2539 H   0  0  0  0  0
    2.9599   -2.5685    0.2061 H   0  0  0  0  0
    3.6132   -2.2688    1.7926 H   0  0  0  0  0
    6.2254    0.9557   -1.7907 H   0  0  0  0  0
    8.1262   -0.5723   -1.5198 H   0  0  0  0  0
    5.7228   -3.1807    0.8943 H   0  0  0  0  0
    7.8818   -3.5314    0.3824 H   0  0  0  0  0
    4.5581   -0.0901    2.8762 H   0  0  0  0  0
    3.2069   -1.0718    3.4229 H   0  0  0  0  0
    2.2854    0.7012    4.7741 H   0  0  0  0  0
    3.6192    1.8051    4.3091 H   0  0  0  0  0
    6.2922    0.0283    6.8454 H   0  0  0  0  0
    6.7338    1.1910    8.9888 H   0  0  0  0  0
    5.0026    2.6746    9.9735 H   0  0  0  0  0
    2.8322    2.9818    8.8119 H   0  0  0  0  0
    2.3828    1.8329    6.6889 H   0  0  0  0  0
  1  2  1  0  0  0
  1 10  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4 13  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7 19  1  0  0  0
  8 11  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
 10 40  1  0  0  0
 10 41  1  0  0  0
 11 12  1  0  0  0
 11 42  1  0  0  0
 11 43  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 44  1  0  0  0
 15 16  1  0  0  0
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 16 17  2  0  0  0
 16 18  1  0  0  0
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 27 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL92774

>  <PubChem CID>
44325216

>  <Formula>
C24H29NO2

>  <Molecular Weight>
363.501000

>  <IUPAC Name>


>  <XlogP>
4.800

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCC23CCN(C(C2C1)CC4=C3C=CC(=C4)O)CCOC5=CC=CC=C5

>  <Isomeric SMILES>
C1CCC23CCN([C@@H]([C@@H]2C1)CC4=C3C=CC(=C4)O)CCOC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C24H29NO2/c26-19-9-10-21-18(16-19)17-23-22-8-4-5-11-24(21,22)12-13-25(23)14-15-27-20-6-2-1-3-7-20/h1-3,6-7,9-10,16,22-23,26H,4-5,8,11-15,17H2/t22-,23+,24?/m0/s1

>  <InChI Key>
ANPFDZVJMUWEGU-XAGPSQNTSA-N

