
 CHEMBL538079

 63 68  0  0  0  0  0  0  0  0999 V2000
    5.0677   -2.6534    1.9893 C   0  0  0  0  0
    5.3513   -1.8094    0.7763 C   0  0  0  0  0
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   -6.5709    4.6952    2.5115 C   0  0  0  0  0
   -5.5730    3.9165    3.1308 C   0  0  0  0  0
   -4.9818    2.8285    2.4700 C   0  0  0  0  0
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    6.0042   -2.9849    2.4532 H   0  0  0  0  0
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    4.5030   -2.0831    2.7323 H   0  0  0  0  0
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    7.8510    0.2899   -0.2604 H   0  0  0  0  0
    6.5828    0.1272   -2.3767 H   0  0  0  0  0
    3.4431   -0.6014   -2.8126 H   0  0  0  0  0
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    1.7608   -0.4460   -0.4247 H   0  0  0  0  0
    0.8360   -0.8654    1.0067 H   0  0  0  0  0
   -0.5354   -0.9593   -0.9608 H   0  0  0  0  0
    0.4883   -2.1278   -1.7560 H   0  0  0  0  0
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    0.5335   -4.6086   -0.6137 H   0  0  0  0  0
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   -7.0162    5.5295    3.0501 H   0  0  0  0  0
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   -4.2159    2.2417    2.9659 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 40  1  0  0  0
  4  5  2  0  0  0
  4 41  1  0  0  0
  5  6  1  0  0  0
  5 42  1  0  0  0
  6 12  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
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 33 34  2  0  0  0
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 35 63  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL538079

>  <PubChem CID>
10098098

>  <Formula>
C29H27N3O4

>  <Molecular Weight>
481.552000

>  <IUPAC Name>
2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C29H27N3O4/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/h2-10,15,21H,11-14,16-17H2,1H3,(H,30,33)

>  <InChI Key>
SGRCNQIRJKNQJN-UHFFFAOYSA-N

