
 CHEMBL2315359

 72 74  0  0  0  0  0  0  0  0999 V2000
    5.4845   -0.9489   -1.7886 C   0  0  0  0  0
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    6.4240   -0.4332   -1.5001 H   0  0  0  0  0
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    2.2906    0.0670   -2.7393 H   0  0  0  0  0
    3.7073    0.2415   -0.0055 H   0  0  0  0  0
    3.2242    1.6159   -1.0304 H   0  0  0  0  0
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    4.0396    3.1614    0.6997 H   0  0  0  0  0
    6.7590    2.3766    1.9434 H   0  0  0  0  0
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    7.6363    4.4992    0.9866 H   0  0  0  0  0
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    4.0882    3.2571   -2.1937 H   0  0  0  0  0
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    8.9831    4.3774   -1.1539 H   0  0  0  0  0
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   10.2805    4.3495   -3.3082 H   0  0  0  0  0
    8.8527    4.6885   -4.2934 H   0  0  0  0  0
    7.8768    2.7118   -5.5538 H   0  0  0  0  0
    8.9554    1.2790   -5.7406 H   0  0  0  0  0
    9.0727    2.6910   -6.8710 H   0  0  0  0  0
   12.2378    4.0009   -3.6588 H   0  0  0  0  0
   13.8755    2.3414   -5.6216 H   0  0  0  0  0
   16.5207    2.6861   -5.1614 H   0  0  0  0  0
   16.5437    5.4344   -2.0187 H   0  0  0  0  0
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    8.7908    2.4649    0.3343 H   0  0  0  0  0
    3.4992    5.7779   -2.4077 H   0  0  0  0  0
    3.2494    7.8386   -1.1002 H   0  0  0  0  0
    6.3108    7.2071    2.5303 H   0  0  0  0  0
    4.9532    8.6698    1.8957 H   0  0  0  0  0
    0.1459    2.2697   -1.0290 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
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 35 72  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2315359

>  <PubChem CID>
71719794

>  <Formula>
C27H37ClN2O5

>  <Molecular Weight>
505.052000

>  <IUPAC Name>


>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C)CN1CCC2C3=C(CC1C2(CCCN(C)C(=O)C=CC4=COC=C4)O)C=CC(=C3O)O.Cl

>  <Isomeric SMILES>
CC(C)CN1CC[C@H]2C3=C(C[C@@H]1[C@@]2(CCCN(C)C(=O)/C=C/C4=COC=C4)O)C=CC(=C3O)O.Cl

>  <InChI Std. ID>
InChI=1S/C27H36N2O5.ClH/c1-18(2)16-29-13-9-21-25-20(6-7-22(30)26(25)32)15-23(29)27(21,33)11-4-12-28(3)24(31)8-5-19-10-14-34-17-19;/h5-8,10,14,17-18,21,23,30,32-33H,4,9,11-13,15-16H2,1-3H3;1H/b8-5+;/t21-,23+,27-;/m0./s1

>  <InChI Key>
DGLMDKGCPUGHSM-MZQOZTLGSA-N

