
 CHEMBL535824

 67 71  0  0  0  0  0  0  0  0999 V2000
    3.5836   -3.6933    2.8736 C   0  0  0  0  0
    4.4775   -2.8530    1.9835 C   0  0  0  0  0
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    1.7458   -1.6089   -1.8968 O   0  0  0  0  0
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   -9.8923   -1.0295    5.3094 C   0  0  0  0  0
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   -9.4310    1.6215    1.7927 O   0  0  0  0  0
    3.8876    1.7033   -3.9436 Cl  0  0  0  0  0
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    3.2627   -4.6137    2.3388 H   0  0  0  0  0
    2.7436   -3.0868    3.2738 H   0  0  0  0  0
    6.0478   -3.1464    3.4627 H   0  0  0  0  0
    7.7398   -1.8785    2.3037 H   0  0  0  0  0
    7.2689   -0.8359    0.1556 H   0  0  0  0  0
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    1.8738   -3.3440    1.4266 H   0  0  0  0  0
    1.0644   -0.9505    1.5287 H   0  0  0  0  0
   -0.0347   -2.3232    1.8638 H   0  0  0  0  0
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    0.1297   -3.1186   -2.1153 H   0  0  0  0  0
    0.3384   -4.5898    0.5453 H   0  0  0  0  0
    1.6086   -4.6770   -0.7060 H   0  0  0  0  0
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   -6.6607    2.3013    0.5987 H   0  0  0  0  0
   -4.8469    1.0777   -0.4224 H   0  0  0  0  0
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   -9.6654    0.7946    1.2934 H   0  0  0  0  0
    2.8158    1.2751   -3.1953 H   0  0  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 41  1  0  0  0
  4  5  2  0  0  0
  4 42  1  0  0  0
  5  6  1  0  0  0
  5 43  1  0  0  0
  6 12  1  0  0  0
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  7  8  1  0  0  0
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  8 13  1  0  0  0
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  9 10  2  0  0  0
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 23 24  2  0  0  0
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 26 27  1  0  0  0
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 29 30  1  0  0  0
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 29 61  1  0  0  0
 30 31  2  0  0  0
 30 35  1  0  0  0
 31 32  1  0  0  0
 31 62  1  0  0  0
 32 33  2  0  0  0
 32 63  1  0  0  0
 33 34  1  0  0  0
 33 64  1  0  0  0
 34 35  2  0  0  0
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 36 66  1  0  0  0
 37 67  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL535824

>  <PubChem CID>
10414310

>  <Formula>
C29H30ClN3O4

>  <Molecular Weight>
520.026000

>  <IUPAC Name>
N-(9-hydroxy-9H-fluoren-3-yl)-2-[4-(8-methyl-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>
CC1=CC=CC2=C1N(C(=O)OC2)C3CCN(CC3)CC(=O)NC4=CC5=C(C=C4)C(C6=CC=CC=C65)O.Cl

>  <Isomeric SMILES>
CC1=CC=CC2=C1N(C(=O)OC2)C3CCN(CC3)CC(=O)NC4=CC5=C(C=C4)C(C6=CC=CC=C65)O.Cl

>  <InChI Std. ID>
InChI=1S/C29H29N3O4.ClH/c1-18-5-4-6-19-17-36-29(35)32(27(18)19)21-11-13-31(14-12-21)16-26(33)30-20-9-10-24-25(15-20)22-7-2-3-8-23(22)28(24)34;/h2-10,15,21,28,34H,11-14,16-17H2,1H3,(H,30,33);1H

>  <InChI Key>
DYWMLWULWQQNBN-UHFFFAOYSA-N

