
 CHEMBL193554

 59 62  0  0  0  0  0  0  0  0999 V2000
    4.3847   -4.4527    0.9734 C   0  0  0  0  0
    4.9985   -3.2011    0.4056 C   0  0  0  0  0
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    5.1553   -5.2109    1.1584 H   0  0  0  0  0
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    0.7879   -1.6569    1.5053 H   0  0  0  0  0
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   -1.3939   -4.8066    2.4331 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
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  3 36  1  0  0  0
  4  5  2  0  0  0
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  5 38  1  0  0  0
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  7  8  1  0  0  0
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  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL193554

>  <PubChem CID>
10433206

>  <Formula>
C24H27N3O5

>  <Molecular Weight>
437.496000

>  <IUPAC Name>
methyl 2-[[2-[4-(8-methyl-2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetyl]amino]benzoate

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC=CC2=C1N(C(=O)OC2)C3CCN(CC3)CC(=O)NC4=CC=CC=C4C(=O)OC

>  <Isomeric SMILES>
CC1=CC=CC2=C1N(C(=O)OC2)C3CCN(CC3)CC(=O)NC4=CC=CC=C4C(=O)OC

>  <InChI Std. ID>
InChI=1S/C24H27N3O5/c1-16-6-5-7-17-15-32-24(30)27(22(16)17)18-10-12-26(13-11-18)14-21(28)25-20-9-4-3-8-19(20)23(29)31-2/h3-9,18H,10-15H2,1-2H3,(H,25,28)

>  <InChI Key>
KAXIAXHHJUTKKU-UHFFFAOYSA-N

