
 CHEMBL536045

 66 70  0  0  0  0  0  0  0  0999 V2000
    6.4846   -1.6686    3.0726 C   0  0  0  0  0
    5.1659   -1.0858    2.5785 C   0  0  0  0  0
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    1.6856   -3.7739    3.7434 C   0  0  0  0  0
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   -6.1387    3.3617    5.8283 C   0  0  0  0  0
   -7.5039    6.8986    4.5357 Cl  0  0  0  0  0
    7.0708   -2.0103    2.2107 H   0  0  0  0  0
    7.0714   -0.8818    3.5605 H   0  0  0  0  0
    5.3705   -0.3284    1.8124 H   0  0  0  0  0
    4.6597   -0.5606    3.3944 H   0  0  0  0  0
    3.2968   -1.7084    1.6966 H   0  0  0  0  0
    4.7184   -2.5208    1.0635 H   0  0  0  0  0
    3.6623   -4.1737    2.2623 H   0  0  0  0  0
    5.1541   -4.6541    4.2711 H   0  0  0  0  0
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    5.9309   -2.4593    5.0026 H   0  0  0  0  0
    7.2679   -3.2895    4.2462 H   0  0  0  0  0
    3.9378   -1.7025    5.2095 H   0  0  0  0  0
    2.0312   -1.2392    6.6345 H   0  0  0  0  0
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    1.5560   -4.4926    2.9356 H   0  0  0  0  0
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   -2.6993   -2.6188    7.9655 H   0  0  0  0  0
   -3.7330   -1.8644    6.7417 H   0  0  0  0  0
   -1.7630    0.3087    5.8539 H   0  0  0  0  0
   -1.8850    1.4256    7.1829 H   0  0  0  0  0
   -3.6785    1.8166    5.5798 H   0  0  0  0  0
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   -7.4062    4.0634    4.2254 H   0  0  0  0  0
   -6.2743    2.3374    5.4982 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3  4  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 41  1  0  0  0
  5  6  1  0  0  0
  5 42  1  0  0  0
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  6 44  1  0  0  0
  6 45  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 46  1  0  0  0
  9 10  2  0  0  0
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 24 33  1  0  0  0
 24 25  2  0  0  0
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 25 26  1  0  0  0
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 31 32  1  0  0  0
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 32 33  2  0  0  0
 32 65  1  0  0  0
 33 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL536045

>  <PubChem CID>
10256047

>  <Formula>
C27H32ClN3O3

>  <Molecular Weight>
482.021000

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

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCC(CC1)C2=CC=C(C=C2)NC(=O)CN3CCC(CC3)N4C5=C(COC4=O)C=C(C=C5)Cl

>  <Isomeric SMILES>
C1CCC(CC1)C2=CC=C(C=C2)NC(=O)CN3CCC(CC3)N4C5=C(COC4=O)C=C(C=C5)Cl

>  <InChI Std. ID>
InChI=1S/C27H32ClN3O3/c28-22-8-11-25-21(16-22)18-34-27(33)31(25)24-12-14-30(15-13-24)17-26(32)29-23-9-6-20(7-10-23)19-4-2-1-3-5-19/h6-11,16,19,24H,1-5,12-15,17-18H2,(H,29,32)

>  <InChI Key>
GVEAGBAQDQCXGJ-UHFFFAOYSA-N

