
 CHEMBL541891

 62 66  0  0  0  0  0  0  0  0999 V2000
    1.1132    1.0793    0.6027 C   0  0  0  0  0
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    3.7935   -4.5201    6.3343 Cl  0  0  0  0  0
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   -3.4925    4.3513   -8.7185 C   0  0  0  0  0
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   -2.9093    2.8059   -6.9127 C   0  0  0  0  0
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    3.9943    0.1254   -1.7435 Cl  0  0  0  0  0
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   -0.6138    1.8050    1.8266 H   0  0  0  0  0
   -0.9844   -0.6308    2.4695 H   0  0  0  0  0
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    0.7657   -2.2166    1.6650 H   0  0  0  0  0
    0.6656   -1.5277    0.0331 H   0  0  0  0  0
    2.5924   -0.4083    1.0583 H   0  0  0  0  0
    1.0101    0.1016    6.4854 H   0  0  0  0  0
    2.7262    0.6532    6.4528 H   0  0  0  0  0
    2.7693   -1.9337    7.0117 H   0  0  0  0  0
    3.6171   -4.2070    3.4849 H   0  0  0  0  0
    2.8454   -2.3877    2.0845 H   0  0  0  0  0
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    3.1324    1.0481   -2.2897 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  3  1  0  0  0
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  3 19  1  0  0  0
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  6 46  1  0  0  0
  7 12  1  0  0  0
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  8 17  1  0  0  0
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  9 14  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL541891

>  <PubChem CID>
10414853

>  <Formula>
C28H25Cl2N3O4

>  <Molecular Weight>
538.425000

>  <IUPAC Name>
2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1N2C3=C(COC2=O)C=C(C=C3)Cl)CC(=O)NC4=CC5=C(C=C4)C(=O)C6=CC=CC=C65.Cl

>  <Isomeric SMILES>
C1CN(CCC1N2C3=C(COC2=O)C=C(C=C3)Cl)CC(=O)NC4=CC5=C(C=C4)C(=O)C6=CC=CC=C65.Cl

>  <InChI Std. ID>
InChI=1S/C28H24ClN3O4.ClH/c29-18-5-8-25-17(13-18)16-36-28(35)32(25)20-9-11-31(12-10-20)15-26(33)30-19-6-7-23-24(14-19)21-3-1-2-4-22(21)27(23)34;/h1-8,13-14,20H,9-12,15-16H2,(H,30,33);1H

>  <InChI Key>
CIVSKZGFHYRNEV-UHFFFAOYSA-N

