
 CHEMBL2349587

 71 74  0  0  0  0  0  0  0  0999 V2000
    0.2069    0.1087    6.0866 C   0  0  0  0  0
   -1.0074    0.0369    5.1976 C   0  0  0  0  0
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    4.7672    7.0471    5.4009 C   0  0  0  0  0
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    0.9686    7.7050    1.7368 H   0  0  0  0  0
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    3.0570    5.9581    0.2208 H   0  0  0  0  0
    0.9437    7.0157   -2.7887 H   0  0  0  0  0
    1.1050    5.8423   -4.9452 H   0  0  0  0  0
    2.7462    4.0102   -5.2566 H   0  0  0  0  0
    4.2432    3.3597   -3.3902 H   0  0  0  0  0
    4.0944    4.5086   -1.2177 H   0  0  0  0  0
    0.8970    8.8544   -0.8977 H   0  0  0  0  0
    1.6762   11.1670   -0.6882 H   0  0  0  0  0
    4.0407   11.6500   -0.1226 H   0  0  0  0  0
    5.6393    9.7833    0.2112 H   0  0  0  0  0
    4.8801    7.4495    0.0288 H   0  0  0  0  0
    2.2143    6.7737    4.2982 H   0  0  0  0  0
    2.7485    7.5886    2.8239 H   0  0  0  0  0
    4.3038    5.6947    2.3277 H   0  0  0  0  0
    3.9380    4.9642    3.8817 H   0  0  0  0  0
    6.6510    5.9399    2.8441 H   0  0  0  0  0
    6.2792    5.0684    4.3456 H   0  0  0  0  0
    8.4084    6.2585    4.5869 H   0  0  0  0  0
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    6.0741    8.7830    5.6776 H   0  0  0  0  0
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    3.8769    7.6782    5.4870 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
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  1 39  1  0  0  0
  2  4  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2349587

>  <PubChem CID>
16737826

>  <Formula>
C30H35N3O3

>  <Molecular Weight>
485.628000

>  <IUPAC Name>
3-(3-acetylphenyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(=O)C1=CC(=CC=C1)NC(=O)N(CCC(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4

>  <Isomeric SMILES>
CC(=O)C1=CC(=CC=C1)NC(=O)N(CCC(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4

>  <InChI Std. ID>
InChI=1S/C30H35N3O3/c1-24(34)27-13-8-14-28(23-27)31-30(35)33(18-17-32-19-21-36-22-20-32)16-15-29(25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-14,23,29H,15-22H2,1H3,(H,31,35)

>  <InChI Key>
CZJVPPRBHOKDQH-UHFFFAOYSA-N

