
 CHEMBL317297

 68 73  0  0  0  0  0  0  0  0999 V2000
   -0.6429    2.9625    0.0136 C   0  0  0  0  0
    0.6892    2.4630    0.0695 O   0  0  0  0  0
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    8.5142   -1.2958   -3.4440 C   0  0  0  0  0
    7.9620   -1.9303   -2.3291 C   0  0  0  0  0
   -1.0277    2.7718   -0.9931 H   0  0  0  0  0
   -0.6690    4.0447    0.1748 H   0  0  0  0  0
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    0.0922    3.9836    2.2699 H   0  0  0  0  0
    1.2783    3.8567    4.4052 H   0  0  0  0  0
    3.1822    2.2964    4.6923 H   0  0  0  0  0
    3.9045    0.8569    2.8290 H   0  0  0  0  0
    3.2795    1.3500   -0.4530 H   0  0  0  0  0
    1.8747    0.2969   -0.1572 H   0  0  0  0  0
    3.1993   -1.0643    1.2317 H   0  0  0  0  0
    4.5238   -0.4506   -1.3226 H   0  0  0  0  0
    1.9924   -1.2721   -1.4333 H   0  0  0  0  0
    3.6878   -1.2442   -3.3140 H   0  0  0  0  0
    2.6719   -2.6782   -3.4237 H   0  0  0  0  0
    5.5964   -2.5070   -3.1522 H   0  0  0  0  0
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    5.6548   -4.6372   -4.0169 H   0  0  0  0  0
    4.2687   -6.6206   -2.8659 H   0  0  0  0  0
    5.7070   -5.9934   -2.0549 H   0  0  0  0  0
    2.9958   -4.2526   -2.0651 H   0  0  0  0  0
    1.5659   -3.5711   -0.7566 H   0  0  0  0  0
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    6.5164   -4.7225   -0.1662 H   0  0  0  0  0
    8.0855   -6.2997    0.7995 H   0  0  0  0  0
   10.0740   -5.5000    2.0497 H   0  0  0  0  0
   10.4589   -3.0620    2.3153 H   0  0  0  0  0
    8.8884   -1.4372    1.3278 H   0  0  0  0  0
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    7.6708    1.9112   -2.7146 H   0  0  0  0  0
    8.8286    0.5775   -4.4569 H   0  0  0  0  0
    9.0276   -1.8829   -4.2008 H   0  0  0  0  0
    8.0539   -3.0112   -2.2416 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  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 38  1  0  0  0
  5  6  2  0  0  0
  5 39  1  0  0  0
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 23 24  2  0  0  0
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 31 32  2  0  0  0
 31 65  1  0  0  0
 32 33  1  0  0  0
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 33 34  2  0  0  0
 33 67  1  0  0  0
 34 68  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL317297

>  <PubChem CID>
44328424

>  <Formula>
C30H34N2O2

>  <Molecular Weight>
454.614000

>  <IUPAC Name>


>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=CC=C1CNC2C3CC4CCOC(C3)N4C2C(C5=CC=CC=C5)C6=CC=CC=C6

>  <Isomeric SMILES>
COC1=CC=CC=C1CNC2[C@@H](N3C4CCOC3CC2C4)C(C5=CC=CC=C5)C6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C30H34N2O2/c1-33-26-15-9-8-14-23(26)20-31-29-24-18-25-16-17-34-27(19-24)32(25)30(29)28(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,24-25,27-31H,16-20H2,1H3/t24?,25?,27?,29?,30-/m0/s1

>  <InChI Key>
AIFZYHUGOXNZLJ-QCWLJUHMSA-N

