
 CHEMBL50841

 64 67  0  0  0  0  0  0  0  0999 V2000
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    0.7178   -0.0012    1.1437 H   0  0  0  0  0
    2.6357   -0.5496   -1.1642 H   0  0  0  0  0
    3.0605   -0.6573    0.5510 H   0  0  0  0  0
    2.4514    1.7535    0.8238 H   0  0  0  0  0
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    4.0753    1.5979   -2.4766 H   0  0  0  0  0
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    6.8091    0.9700   -1.2047 H   0  0  0  0  0
    6.4312    2.4981   -2.0000 H   0  0  0  0  0
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    7.0417   -0.3400   -7.8401 H   0  0  0  0  0
    7.6717   -1.7811   -7.0463 H   0  0  0  0  0
    9.5906   -1.1496   -8.2665 H   0  0  0  0  0
    9.1974    0.5757   -8.1537 H   0  0  0  0  0
   10.2091   -1.2285   -5.8995 H   0  0  0  0  0
   10.9477    0.2781   -6.4812 H   0  0  0  0  0
    9.3488    0.4412   -4.3673 H   0  0  0  0  0
    9.1153    1.6042   -5.6752 H   0  0  0  0  0
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    4.3879    7.1752   -4.2080 H   0  0  0  0  0
    2.7043    7.8238   -4.0920 H   0  0  0  0  0
    4.5982    3.0855    1.9823 H   0  0  0  0  0
    3.0727    3.7815    1.4226 H   0  0  0  0  0
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  3  4  1  0  0  0
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  5 38  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
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  7 17  1  0  0  0
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  8 10  1  0  0  0
  8  9  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL50841

>  <PubChem CID>
10047428

>  <Formula>
C24H34N2O4

>  <Molecular Weight>
414.546000

>  <IUPAC Name>
8-[2-[(5-methoxy-3,4-dihydro-2H-chromen-3-yl)-propylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCN(CCN1C(=O)CC2(CCCC2)CC1=O)C3CC4=C(C=CC=C4OC)OC3

>  <Isomeric SMILES>
CCCN(CCN1C(=O)CC2(CCCC2)CC1=O)C3CC4=C(C=CC=C4OC)OC3

>  <InChI Std. ID>
InChI=1S/C24H34N2O4/c1-3-11-25(18-14-19-20(29-2)7-6-8-21(19)30-17-18)12-13-26-22(27)15-24(16-23(26)28)9-4-5-10-24/h6-8,18H,3-5,9-17H2,1-2H3

>  <InChI Key>
LJXVXMDOHJFURJ-UHFFFAOYSA-N

