
 CHEMBL556951

 60 65  0  0  0  0  0  0  0  0999 V2000
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    1.6661    1.9552   -1.2611 H   0  0  0  0  0
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    0.5245   -1.6249   -0.2490 H   0  0  0  0  0
    2.8870   -1.2083    0.0293 H   0  0  0  0  0
    2.2681   -0.3057   -1.3165 H   0  0  0  0  0
    3.7227    1.2422   -0.0787 H   0  0  0  0  0
    4.8200   -0.7977    0.8462 H   0  0  0  0  0
    5.8346   -2.6350    2.1113 H   0  0  0  0  0
    5.3157   -2.9472    4.5159 H   0  0  0  0  0
    3.7722   -1.3862    5.6578 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL556951

>  <PubChem CID>
10434747

>  <Formula>
C28H25N3O4

>  <Molecular Weight>
467.525000

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

>  <XlogP>
3.900

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1N2C3=CC=CC=C3COC2=O)CC(=O)NC4=CC5=C(C=C4)C6=CC=CC=C6C5=O

>  <Isomeric SMILES>
C1CN(CCC1N2C3=CC=CC=C3COC2=O)CC(=O)NC4=CC5=C(C=C4)C6=CC=CC=C6C5=O

>  <InChI Std. ID>
InChI=1S/C28H25N3O4/c32-26(29-19-9-10-22-21-6-2-3-7-23(21)27(33)24(22)15-19)16-30-13-11-20(12-14-30)31-25-8-4-1-5-18(25)17-35-28(31)34/h1-10,15,20H,11-14,16-17H2,(H,29,32)

>  <InChI Key>
VKRLVVXOQLGYSS-UHFFFAOYSA-N

