
 CHEMBL262384

 70 75  0  0  0  0  0  0  0  0999 V2000
    2.6372   -8.7951   -6.1561 C   0  0  0  0  0
    2.2335   -7.8818   -5.1200 N   0  0  0  0  0
    0.9136   -7.8917   -4.5417 C   0  0  0  0  0
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   14.1139   -8.4849    2.1212 N   0  0  0  0  0
   14.7302   -9.6757    2.6508 C   0  0  0  0  0
   16.1042   -9.9399    2.6080 C   0  0  0  0  0
   16.6295  -11.1634    3.0482 C   0  0  0  0  0
   15.7946  -12.1244    3.6004 C   0  0  0  0  0
   14.4441  -11.8427    3.7482 C   0  0  0  0  0
   13.9196  -10.6236    3.2823 C   0  0  0  0  0
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   11.9784   -9.3857    2.6090 O   0  0  0  0  0
   12.7295   -8.2991    2.2790 C   0  0  0  0  0
   12.1290   -7.2470    2.0819 O   0  0  0  0  0
    3.6605   -8.5894   -6.4807 H   0  0  0  0  0
    1.9568   -8.6864   -7.0055 H   0  0  0  0  0
    2.5778   -9.8150   -5.7670 H   0  0  0  0  0
    0.7292   -8.8486   -4.0497 H   0  0  0  0  0
    0.1693   -7.6505   -5.3024 H   0  0  0  0  0
    2.0597   -4.6179   -2.3396 H   0  0  0  0  0
    3.6150   -4.7037   -3.2108 H   0  0  0  0  0
    5.3594   -5.5714   -2.1507 H   0  0  0  0  0
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    5.4563   -5.9633    0.6187 H   0  0  0  0  0
    8.1634   -7.0866    1.1048 H   0  0  0  0  0
    8.7656   -6.9250   -4.3175 H   0  0  0  0  0
   11.2117   -7.4541   -4.1819 H   0  0  0  0  0
   10.9481   -7.7088    0.1169 H   0  0  0  0  0
   15.3533   -7.8752   -1.9218 H   0  0  0  0  0
   14.6796   -9.2751   -1.0903 H   0  0  0  0  0
   16.3619   -8.7873    0.3452 H   0  0  0  0  0
   16.4293   -7.1152   -0.0841 H   0  0  0  0  0
   15.6906   -7.1509    2.2110 H   0  0  0  0  0
   13.6970   -5.6544    1.7927 H   0  0  0  0  0
   15.0750   -5.3924    0.8018 H   0  0  0  0  0
   12.4286   -5.9462   -0.1322 H   0  0  0  0  0
   13.8438   -5.5098   -1.0378 H   0  0  0  0  0
   16.8220   -9.2121    2.2510 H   0  0  0  0  0
   17.6957  -11.3570    2.9626 H   0  0  0  0  0
   16.1986  -13.0735    3.9434 H   0  0  0  0  0
   13.7977  -12.5703    4.2344 H   0  0  0  0  0
   11.8753  -11.1703    3.5687 H   0  0  0  0  0
   12.4239   -9.8130    4.5660 H   0  0  0  0  0
  1  2  1  0  0  0
  1 42  1  0  0  0
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  2  7  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL262384

>  <PubChem CID>
44279410

>  <Formula>
C29H29N5O7

>  <Molecular Weight>
559.579000

>  <IUPAC Name>
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[[5-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carbonyl]-1-benzofuran-2-yl]methyl]acetamide

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CN1CC(=O)N(C1=O)CC(=O)NCC2=CC3=C(O2)C=CC(=C3)C(=O)N4CCC(CC4)N5C6=CC=CC=C6COC5=O

>  <Isomeric SMILES>
CN1CC(=O)N(C1=O)CC(=O)NCC2=CC3=C(O2)C=CC(=C3)C(=O)N4CCC(CC4)N5C6=CC=CC=C6COC5=O

>  <InChI Std. ID>
InChI=1S/C29H29N5O7/c1-31-16-26(36)33(28(31)38)15-25(35)30-14-22-13-20-12-18(6-7-24(20)41-22)27(37)32-10-8-21(9-11-32)34-23-5-3-2-4-19(23)17-40-29(34)39/h2-7,12-13,21H,8-11,14-17H2,1H3,(H,30,35)

>  <InChI Key>
AJOOQKDCBQLRIU-UHFFFAOYSA-N

