
 CHEMBL2349586

 74 77  0  0  0  0  0  0  0  0999 V2000
   -0.8932    2.2751    0.4906 C   0  0  0  0  0
   -0.4278    3.5704    1.1373 C   0  0  0  0  0
    1.0477    3.8408    0.8886 C   0  0  0  0  0
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    1.6149    5.1433    1.3519 C   0  0  0  0  0
    2.7873    5.6246    0.7442 C   0  0  0  0  0
    3.3406    6.8475    1.1353 C   0  0  0  0  0
    2.7049    7.5869    2.1413 C   0  0  0  0  0
    1.5523    7.1049    2.7632 C   0  0  0  0  0
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    4.5037    7.4143    0.5687 N   0  0  0  0  0
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    3.2388    5.0323   -0.0482 H   0  0  0  0  0
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    1.0843    7.6806    3.5581 H   0  0  0  0  0
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    4.7679    8.3117    0.9369 H   0  0  0  0  0
    7.3656    7.3557   -2.5632 H   0  0  0  0  0
    7.4095    5.9266   -1.5379 H   0  0  0  0  0
    8.9536    7.1857    0.0551 H   0  0  0  0  0
    9.0693    8.4533   -1.1579 H   0  0  0  0  0
    9.8362    5.5366   -1.5092 H   0  0  0  0  0
   10.1541    4.6403   -3.6100 H   0  0  0  0  0
   10.1641    4.8727   -6.0599 H   0  0  0  0  0
   10.1166    7.1203   -7.1070 H   0  0  0  0  0
   10.0569    9.1470   -5.6811 H   0  0  0  0  0
   10.0272    8.9453   -3.2393 H   0  0  0  0  0
   11.3443    9.0617   -1.3588 H   0  0  0  0  0
   13.4701    9.5108   -0.2354 H   0  0  0  0  0
   14.7789    7.6564    0.7624 H   0  0  0  0  0
   13.9313    5.3299    0.6174 H   0  0  0  0  0
   11.7985    4.8470   -0.5144 H   0  0  0  0  0
    5.3849    9.4581   -0.6622 H   0  0  0  0  0
    6.8856    9.4830   -1.5672 H   0  0  0  0  0
    8.1783    9.2916    0.6199 H   0  0  0  0  0
    6.6739    9.1986    1.4862 H   0  0  0  0  0
    7.5327   10.9152    2.8592 H   0  0  0  0  0
    7.5860   12.5496    2.2253 H   0  0  0  0  0
    9.8658   11.8528    2.7548 H   0  0  0  0  0
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    9.5458   10.7534   -0.7078 H   0  0  0  0  0
    7.4326   12.9288   -0.2034 H   0  0  0  0  0
    7.2222   11.5964   -1.3064 H   0  0  0  0  0
  1  2  1  0  0  0
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  2  3  1  0  0  0
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 37 74  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2349586

>  <PubChem CID>
16737168

>  <Formula>
C31H37N3O3

>  <Molecular Weight>
499.655000

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

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C31H37N3O3/c1-2-30(35)27-14-9-15-28(24-27)32-31(36)34(19-18-33-20-22-37-23-21-33)17-16-29(25-10-5-3-6-11-25)26-12-7-4-8-13-26/h3-15,24,29H,2,16-23H2,1H3,(H,32,36)

>  <InChI Key>
DYUVMPXQXHHVKL-UHFFFAOYSA-N

