
 CHEMBL557802

 64 68  0  0  0  0  0  0  0  0999 V2000
    1.7526    0.1315   -0.7132 C   0  0  0  0  0
    0.3979    0.8164   -0.3947 C   0  0  0  0  0
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    3.5504   -0.6483    2.7317 C   0  0  0  0  0
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    3.7890    1.5059    4.0264 C   0  0  0  0  0
    3.3511    2.1018    2.8649 O   0  0  0  0  0
    2.9523    1.4727    1.7314 C   0  0  0  0  0
    2.6260    2.1743    0.7942 O   0  0  0  0  0
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   -4.8336   -0.8217    2.4481 C   0  0  0  0  0
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   -6.3957   -2.7250    2.4575 C   0  0  0  0  0
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   -9.7754   -1.2279    5.8739 C   0  0  0  0  0
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   -7.7727    0.7524    5.6475 C   0  0  0  0  0
   -7.7234   -0.4215    4.8945 C   0  0  0  0  0
   -8.2239   -3.7299    4.8297 O   0  0  0  0  0
    5.0253   -1.1641   -2.6964 Cl  0  0  0  0  0
    1.5417   -0.6024   -1.5228 H   0  0  0  0  0
    2.4904    0.8393   -1.1459 H   0  0  0  0  0
    0.0236    1.2682   -1.3396 H   0  0  0  0  0
    0.4935    1.6429    0.3318 H   0  0  0  0  0
    0.1418   -0.1123    2.1436 H   0  0  0  0  0
   -0.8131   -1.5722    1.6828 H   0  0  0  0  0
    1.4666   -2.2348    1.8241 H   0  0  0  0  0
    0.9456   -2.3120    0.1304 H   0  0  0  0  0
    3.1775   -1.2650    0.0591 H   0  0  0  0  0
    3.5924   -2.6153    1.7645 H   0  0  0  0  0
    4.5753   -3.7916    3.6435 H   0  0  0  0  0
    5.1639   -2.5881    5.7197 H   0  0  0  0  0
    4.7931   -0.1576    5.8871 H   0  0  0  0  0
    3.0930    1.7528    4.8561 H   0  0  0  0  0
    4.7854    1.9357    4.2627 H   0  0  0  0  0
   -1.6946    1.3524    1.1790 H   0  0  0  0  0
   -2.1947    1.0791   -0.5222 H   0  0  0  0  0
   -3.3996    0.7243    2.5084 H   0  0  0  0  0
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  -10.5417   -1.9876    5.9545 H   0  0  0  0  0
  -10.6792    0.0946    7.3222 H   0  0  0  0  0
   -8.9143    1.8372    7.1237 H   0  0  0  0  0
   -7.0043    1.5084    5.5539 H   0  0  0  0  0
   -8.1047   -4.4642    4.1735 H   0  0  0  0  0
    4.4299   -0.1007   -3.3342 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  3  1  0  0  0
  2 39  1  0  0  0
  2 40  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 41  1  0  0  0
  4 42  1  0  0  0
  5  6  1  0  0  0
  5 43  1  0  0  0
  5 44  1  0  0  0
  6  7  1  0  0  0
  6 45  1  0  0  0
  7 16  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 46  1  0  0  0
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 24 25  2  0  0  0
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 28 35  1  0  0  0
 28 58  1  0  0  0
 29 30  2  0  0  0
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 30 31  1  0  0  0
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 31 32  2  0  0  0
 31 60  1  0  0  0
 32 33  1  0  0  0
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 33 62  1  0  0  0
 35 63  1  0  0  0
 36 64  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL557802

>  <PubChem CID>
9983661

>  <Formula>
C28H28ClN3O4

>  <Molecular Weight>
505.999000

>  <IUPAC Name>
N-(9-hydroxy-9H-fluoren-3-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1N2C3=CC=CC=C3COC2=O)CC(=O)NC4=CC5=C(C=C4)C(C6=CC=CC=C65)O.Cl

>  <Isomeric SMILES>
C1CN(CCC1N2C3=CC=CC=C3COC2=O)CC(=O)NC4=CC5=C(C=C4)C(C6=CC=CC=C65)O.Cl

>  <InChI Std. ID>
InChI=1S/C28H27N3O4.ClH/c32-26(29-19-9-10-23-24(15-19)21-6-2-3-7-22(21)27(23)33)16-30-13-11-20(12-14-30)31-25-8-4-1-5-18(25)17-35-28(31)34;/h1-10,15,20,27,33H,11-14,16-17H2,(H,29,32);1H

>  <InChI Key>
GQDWABLIKQZYIA-UHFFFAOYSA-N

