
 CHEMBL2163952

 67 73  0  0  0  0  0  0  0  0999 V2000
    7.0541    0.6101    3.9098 C   0  0  0  0  0
    6.3410    0.2766    2.5956 C   0  0  0  0  0
    7.0970    0.9019    1.4040 C   0  0  0  0  0
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    6.2820   -1.2550    2.3981 C   0  0  0  0  0
    5.5280   -3.0701    0.8645 N   0  0  0  0  0
    4.9591   -3.9899    1.7101 C   0  0  0  0  0
    4.4104   -3.6936    2.7684 O   0  0  0  0  0
    5.0275   -5.4085    1.2535 C   0  0  0  0  0
    4.5343   -6.3581    2.0657 C   0  0  0  0  0
    4.4632   -7.7086    1.7831 N   0  0  0  0  0
    4.0186   -8.7401    2.7389 C   0  0  0  0  0
    3.3451   -9.8974    1.9804 C   0  0  0  0  0
    4.1803  -10.4823    0.9713 O   0  0  0  0  0
    4.7686   -9.5385    0.1652 C   0  0  0  0  0
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    5.9224   -9.1293   -1.9190 C   0  0  0  0  0
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    7.4382   -9.8939    4.1082 C   0  0  0  0  0
    7.1026  -10.2418    5.4122 C   0  0  0  0  0
    5.7920  -10.0842    5.8541 C   0  0  0  0  0
    4.8150   -9.5823    4.9898 C   0  0  0  0  0
    2.7405    1.0777    1.3288 C   0  0  0  0  0
    7.1060    1.6928    4.0682 H   0  0  0  0  0
    8.0786    0.2219    3.9129 H   0  0  0  0  0
    6.5291    0.1723    4.7661 H   0  0  0  0  0
    8.1282    0.5275    1.3693 H   0  0  0  0  0
    7.1619    1.9911    1.5242 H   0  0  0  0  0
    6.9309    1.0144   -0.7513 H   0  0  0  0  0
    4.9925    2.2253    0.2294 H   0  0  0  0  0
    4.4509    0.9269   -0.8289 H   0  0  0  0  0
    4.9172    1.9165    2.7790 H   0  0  0  0  0
    4.3446    0.4003    3.4637 H   0  0  0  0  0
    3.5979   -1.2788    0.1770 H   0  0  0  0  0
    3.5333   -1.4732    1.9184 H   0  0  0  0  0
    7.3402   -1.3620   -0.1507 H   0  0  0  0  0
    5.8380   -1.1987   -1.0451 H   0  0  0  0  0
    5.7770   -1.7074    3.2600 H   0  0  0  0  0
    7.2971   -1.6751    2.3876 H   0  0  0  0  0
    5.9379   -3.4297    0.0006 H   0  0  0  0  0
    4.1274   -6.0990    3.0421 H   0  0  0  0  0
    3.2450   -8.2864    3.3749 H   0  0  0  0  0
    2.4224   -9.5492    1.4960 H   0  0  0  0  0
    3.0580  -10.6982    2.6714 H   0  0  0  0  0
    5.2121  -11.0643   -1.2882 H   0  0  0  0  0
    6.3364   -9.4997   -2.8537 H   0  0  0  0  0
    6.5040   -7.0904   -2.2908 H   0  0  0  0  0
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    8.4592  -10.0178    3.7561 H   0  0  0  0  0
    7.8619  -10.6372    6.0816 H   0  0  0  0  0
    5.5290  -10.3571    6.8729 H   0  0  0  0  0
    3.7976   -9.4777    5.3613 H   0  0  0  0  0
    2.7520    2.1647    1.4660 H   0  0  0  0  0
    2.1614    0.6439    2.1514 H   0  0  0  0  0
    2.2070    0.8648    0.3959 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2 11  1  0  0  0
  3  4  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  4 41  1  0  0  0
  5  6  1  0  0  0
  5 42  1  0  0  0
  5 43  1  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  6 35  1  0  0  0
  7 44  1  0  0  0
  7 45  1  0  0  0
  8  9  1  0  0  0
  8 46  1  0  0  0
  8 47  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
  9 12  1  0  0  0
 10 48  1  0  0  0
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 12 13  1  0  0  0
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 13 15  1  0  0  0
 13 14  2  0  0  0
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 15 27  1  0  0  0
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 17 26  1  0  0  0
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 20 21  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
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 23 24  2  0  0  0
 23 58  1  0  0  0
 24 25  1  0  0  0
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 25 27  1  0  0  0
 25 26  2  0  0  0
 27 28  2  0  0  0
 29 30  2  0  0  0
 29 34  1  0  0  0
 30 31  1  0  0  0
 30 60  1  0  0  0
 31 32  2  0  0  0
 31 61  1  0  0  0
 32 33  1  0  0  0
 32 62  1  0  0  0
 33 34  2  0  0  0
 33 63  1  0  0  0
 34 64  1  0  0  0
 35 65  1  0  0  0
 35 66  1  0  0  0
 35 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2163952

>  <PubChem CID>
71455077

>  <Formula>
C30H32N2O3

>  <Molecular Weight>
468.597000

>  <IUPAC Name>


>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC12CC3CC(C1)(CC(C3)(C2)NC(=O)C4=CN5C(COC6=CC=CC(=C65)C4=O)C7=CC=CC=C7)C

>  <Isomeric SMILES>
CC12CC3CC(C1)(CC(C3)(C2)NC(=O)C4=CN5C(COC6=CC=CC(=C65)C4=O)C7=CC=CC=C7)C

>  <InChI Std. ID>
InChI=1S/C30H32N2O3/c1-28-11-19-12-29(2,16-28)18-30(13-19,17-28)31-27(34)22-14-32-23(20-7-4-3-5-8-20)15-35-24-10-6-9-21(25(24)32)26(22)33/h3-10,14,19,23H,11-13,15-18H2,1-2H3,(H,31,34)

>  <InChI Key>
ADAWJIUDJGXERN-UHFFFAOYSA-N

