
 CHEMBL1929362

 60 65  0  0  0  0  0  0  0  0999 V2000
    3.7323    4.0951   -2.7553 C   0  0  0  0  0
    4.9445    3.1850   -2.5537 C   0  0  0  0  0
    5.5951    2.8722   -3.9051 C   0  0  0  0  0
    5.9945    3.8118   -1.6017 C   0  0  0  0  0
    5.4867    4.1504   -0.2411 N   0  0  0  0  0
    5.1239    2.9505    0.4943 C   0  0  0  0  0
    6.2973    2.6319    1.3461 C   0  0  0  0  0
    6.8797    3.9886    1.7464 C   0  0  0  0  0
    8.4130    4.4397    0.7110 C   0  0  0  0  0
    8.5804    6.0341   -0.0516 C   0  0  0  0  0
    9.7458    6.1788   -0.7020 N   0  0  0  0  0
    9.9990    7.3785   -1.2680 C   0  0  0  0  0
   11.1980    7.5185   -1.9491 C   0  0  0  0  0
   11.5611    8.7129   -2.5793 C   0  0  0  0  0
   10.7087    9.8086   -2.5318 C   0  0  0  0  0
    9.4947    9.7093   -1.8552 C   0  0  0  0  0
    9.1232    8.5124   -1.2214 C   0  0  0  0  0
    7.8928    8.4307   -0.5565 C   0  0  0  0  0
    7.5745    7.2278    0.0476 C   0  0  0  0  0
    5.9129    7.1055    0.7588 C   0  0  0  0  0
    5.6024    5.4418    1.5655 C   0  0  0  0  0
    6.4288    5.1965    0.4915 C   0  0  0  0  0
    7.3077    6.0470    2.1427 C   0  0  0  0  0
    7.5096    5.2649    3.4405 C   0  0  0  0  0
    7.3418    3.9472    3.1659 C   0  0  0  0  0
    7.6435    3.0017    4.1281 C   0  0  0  0  0
    8.0121    3.4201    5.4064 C   0  0  0  0  0
    8.1376    4.7840    5.6914 C   0  0  0  0  0
    7.9080    5.7239    4.6897 C   0  0  0  0  0
    7.6493    1.6608    3.9032 O   0  0  0  0  0
    3.0092    3.6272   -3.4324 H   0  0  0  0  0
    4.0250    5.0575   -3.1879 H   0  0  0  0  0
    3.2170    4.2877   -1.8092 H   0  0  0  0  0
    4.5885    2.2313   -2.1506 H   0  0  0  0  0
    5.9580    3.7822   -4.3945 H   0  0  0  0  0
    4.8794    2.3874   -4.5776 H   0  0  0  0  0
    6.4446    2.1926   -3.7778 H   0  0  0  0  0
    6.3632    4.7148   -2.1054 H   0  0  0  0  0
    6.8524    3.1343   -1.5194 H   0  0  0  0  0
    4.2407    3.1455    1.1144 H   0  0  0  0  0
    4.8467    2.0885   -0.1175 H   0  0  0  0  0
    7.0433    2.0313    0.8138 H   0  0  0  0  0
    5.9254    2.0395    2.1874 H   0  0  0  0  0
    8.4772    3.7215   -0.1148 H   0  0  0  0  0
    9.2971    4.3216    1.3518 H   0  0  0  0  0
   11.8755    6.6685   -1.9952 H   0  0  0  0  0
   12.5097    8.7795   -3.1056 H   0  0  0  0  0
   10.9868   10.7385   -3.0214 H   0  0  0  0  0
    8.8379   10.5763   -1.8286 H   0  0  0  0  0
    7.2032    9.2673   -0.5277 H   0  0  0  0  0
    5.7574    7.9470    1.4488 H   0  0  0  0  0
    5.2075    7.2320   -0.0817 H   0  0  0  0  0
    4.5427    5.1784    1.5672 H   0  0  0  0  0
    6.4145    5.7537   -0.4447 H   0  0  0  0  0
    8.3425    6.3955    2.0048 H   0  0  0  0  0
    6.8000    6.9282    2.5845 H   0  0  0  0  0
    8.2303    2.6830    6.1742 H   0  0  0  0  0
    8.4438    5.1042    6.6832 H   0  0  0  0  0
    8.0502    6.7828    4.8804 H   0  0  0  0  0
    7.8575    1.5187    2.9663 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4 38  1  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7  8  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  8 21  1  0  0  0
  8  9  1  0  0  0
  8 25  1  0  0  0
  9 10  1  0  0  0
  9 44  1  0  0  0
  9 45  1  0  0  0
 10 19  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
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 12 13  2  0  0  0
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 27 28  1  0  0  0
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 28 58  1  0  0  0
 29 59  1  0  0  0
 30 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1929362

>  <PubChem CID>
57390707

>  <Formula>
C27H30N2O

>  <Molecular Weight>
398.550000

>  <IUPAC Name>


>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)CN1CCC23CC4=NC5=CC=CC=C5C=C4CC2C1CC6=C3C(=CC=C6)O

>  <Isomeric SMILES>
CC(C)CN1CC[C@]23CC4=NC5=CC=CC=C5C=C4C[C@H]2[C@H]1CC6=C3C(=CC=C6)O

>  <InChI Std. ID>
InChI=1S/C27H30N2O/c1-17(2)16-29-11-10-27-15-23-20(12-18-6-3-4-8-22(18)28-23)13-21(27)24(29)14-19-7-5-9-25(30)26(19)27/h3-9,12,17,21,24,30H,10-11,13-16H2,1-2H3/t21-,24+,27-/m0/s1

>  <InChI Key>
ACCWAOKNDZJAQS-WBWMCNGVSA-N

