
 CHEMBL193382

 55 59  0  0  0  0  0  0  0  0999 V2000
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    3.0882    1.6805    2.7698 O   0  0  0  0  0
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    3.2507   -2.9167    1.8897 C   0  0  0  0  0
    3.2594   -5.9836    4.4612 Cl  0  0  0  0  0
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    2.0501    1.2550   -0.8015 H   0  0  0  0  0
    2.7099    1.9420    0.6342 H   0  0  0  0  0
    0.3630    2.4995    0.4996 H   0  0  0  0  0
    0.5193    1.3944    1.8596 H   0  0  0  0  0
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    3.4714   -0.4219    0.2913 H   0  0  0  0  0
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    3.5584   -2.7770    0.8579 H   0  0  0  0  0
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  2 36  1  0  0  0
  3  4  1  0  0  0
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  4  5  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL193382

>  <PubChem CID>
10253263

>  <Formula>
C24H23ClN4O3

>  <Molecular Weight>
450.923000

>  <IUPAC Name>
2-[4-(6-chloro-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]-N-quinolin-6-ylacetamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1N2C3=C(COC2=O)C=C(C=C3)Cl)CC(=O)NC4=CC5=C(C=C4)N=CC=C5

>  <Isomeric SMILES>
C1CN(CCC1N2C3=C(COC2=O)C=C(C=C3)Cl)CC(=O)NC4=CC5=C(C=C4)N=CC=C5

>  <InChI Std. ID>
InChI=1S/C24H23ClN4O3/c25-18-3-6-22-17(12-18)15-32-24(31)29(22)20-7-10-28(11-8-20)14-23(30)27-19-4-5-21-16(13-19)2-1-9-26-21/h1-6,9,12-13,20H,7-8,10-11,14-15H2,(H,27,30)

>  <InChI Key>
WBMQKMDTFIQTMC-UHFFFAOYSA-N

