
 CHEMBL2349602

 73 77  0  0  0  0  0  0  0  0999 V2000
    3.1538   -1.9155    0.1268 C   0  0  0  0  0
    3.4240   -3.2434    0.8519 C   0  0  0  0  0
    4.7282   -3.7433    0.5357 O   0  0  0  0  0
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    4.0580   -0.3483    1.8141 C   0  0  0  0  0
    2.6893    0.2531    2.1945 C   0  0  0  0  0
    2.7346    0.8883    3.5149 N   0  0  0  0  0
    2.5360    0.0015    4.6645 C   0  0  0  0  0
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    4.4851    4.6185    1.2984 C   0  0  0  0  0
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    6.0843    7.1668   -2.2334 C   0  0  0  0  0
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    6.2729   -0.7120    0.4640 H   0  0  0  0  0
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    2.3592    0.9789    1.4445 H   0  0  0  0  0
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    0.6078    0.7613    5.2959 H   0  0  0  0  0
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    2.0668   -3.0443    7.8437 H   0  0  0  0  0
    3.4123   -2.5971    9.8598 H   0  0  0  0  0
    3.7888   -0.2660   10.6211 H   0  0  0  0  0
    2.7733    1.6222    9.3717 H   0  0  0  0  0
    1.4210    1.2068    7.3767 H   0  0  0  0  0
   -0.4129   -3.6676    5.8845 H   0  0  0  0  0
   -2.7606   -4.2078    6.3959 H   0  0  0  0  0
   -4.2918   -2.4533    7.2463 H   0  0  0  0  0
   -3.4619   -0.1391    7.5731 H   0  0  0  0  0
   -1.1215    0.4270    7.0656 H   0  0  0  0  0
    3.6516    2.3675    1.8164 H   0  0  0  0  0
    3.6426    4.9012    4.5868 H   0  0  0  0  0
    4.4725    7.1747    4.1884 H   0  0  0  0  0
    5.3038    7.8503    1.9670 H   0  0  0  0  0
    4.4892    3.9019    0.4783 H   0  0  0  0  0
    5.2600    8.4585   -0.6005 H   0  0  0  0  0
    6.3025    7.8417   -3.0481 H   0  0  0  0  0
    6.6628    5.1025   -2.9664 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 39  1  0  0  0
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 37 73  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2349602

>  <PubChem CID>
16735045

>  <Formula>
C32H35N3O3

>  <Molecular Weight>
509.650000

>  <IUPAC Name>
1-(3,3-diphenylpropyl)-3-[3-(furan-2-yl)phenyl]-1-(2-morpholin-4-ylethyl)urea

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1COCCN1CCN(CCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C5=CC=CO5

>  <Isomeric SMILES>
C1COCCN1CCN(CCC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C5=CC=CO5

>  <InChI Std. ID>
InChI=1S/C32H35N3O3/c36-32(33-29-14-7-13-28(25-29)31-15-8-22-38-31)35(19-18-34-20-23-37-24-21-34)17-16-30(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-15,22,25,30H,16-21,23-24H2,(H,33,36)

>  <InChI Key>
CGHGDHYCILCDMZ-UHFFFAOYSA-N

