
 CHEMBL2349603

 72 76  0  0  0  0  0  0  0  0999 V2000
    3.6211   -1.8641    0.2623 C   0  0  0  0  0
    4.3305   -3.0033    1.0124 C   0  0  0  0  0
    5.6857   -3.1384    0.5729 O   0  0  0  0  0
    6.4046   -1.9120    0.7480 C   0  0  0  0  0
    5.7146   -0.7379    0.0231 C   0  0  0  0  0
    4.2858   -0.5461    0.3889 N   0  0  0  0  0
    4.1745    0.0653    1.7285 C   0  0  0  0  0
    2.7285    0.3322    2.2103 C   0  0  0  0  0
    2.6617    0.8788    3.5774 N   0  0  0  0  0
    2.4098   -0.0785    4.6687 C   0  0  0  0  0
    3.6677   -0.8494    5.0770 C   0  0  0  0  0
    3.4422   -1.8863    6.2023 C   0  0  0  0  0
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    1.6077   -1.4952    7.9074 C   0  0  0  0  0
    1.0829   -0.8486    9.0271 C   0  0  0  0  0
    1.8570    0.0763    9.7235 C   0  0  0  0  0
    3.1576    0.3502    9.3052 C   0  0  0  0  0
    3.6852   -0.2950    8.1851 C   0  0  0  0  0
    3.0565    2.1686    3.9510 C   0  0  0  0  0
    3.2850    2.4396    5.1276 O   0  0  0  0  0
    3.1371    3.0739    2.9155 N   0  0  0  0  0
    3.5380    4.4279    2.9967 C   0  0  0  0  0
    4.1590    4.9898    4.1130 C   0  0  0  0  0
    4.5227    6.3377    4.1198 C   0  0  0  0  0
    4.2767    7.1372    3.0044 C   0  0  0  0  0
    3.6598    6.5991    1.8687 C   0  0  0  0  0
    3.2993    5.2405    1.8774 C   0  0  0  0  0
    3.4015    7.4405    0.7108 C   0  0  0  0  0
    3.9246    8.6129    0.2081 C   0  0  0  0  0
    3.2554    8.9858   -0.9305 N   0  0  0  0  0
    2.3565    8.0388   -1.0751 C   0  0  0  0  0
    2.3856    7.0600   -0.1295 O   0  0  0  0  0
    3.6112   -2.1158   -0.8069 H   0  0  0  0  0
    2.5682   -1.8138    0.5536 H   0  0  0  0  0
    3.8224   -3.9507    0.8051 H   0  0  0  0  0
    4.3119   -2.8521    2.0972 H   0  0  0  0  0
    6.5217   -1.7176    1.8204 H   0  0  0  0  0
    7.4076   -2.0601    0.3339 H   0  0  0  0  0
    6.2812    0.1871    0.1829 H   0  0  0  0  0
    5.7494   -0.9340   -1.0563 H   0  0  0  0  0
    4.6961    1.0309    1.7043 H   0  0  0  0  0
    4.7074   -0.5339    2.4689 H   0  0  0  0  0
    2.1356   -0.5869    2.2065 H   0  0  0  0  0
    2.2300    1.0178    1.5186 H   0  0  0  0  0
    1.6219   -0.7682    4.3446 H   0  0  0  0  0
    2.0043    0.4728    5.5239 H   0  0  0  0  0
    4.4594   -0.1394    5.3488 H   0  0  0  0  0
    4.0201   -1.3962    4.1978 H   0  0  0  0  0
    2.6613   -2.5637    5.8244 H   0  0  0  0  0
    6.0490   -1.8625    5.0774 H   0  0  0  0  0
    7.8509   -3.4613    5.4488 H   0  0  0  0  0
    7.5699   -5.3362    7.0448 H   0  0  0  0  0
    5.4353   -5.5909    8.2839 H   0  0  0  0  0
    3.5842   -4.0130    7.9115 H   0  0  0  0  0
    0.9821   -2.2053    7.3720 H   0  0  0  0  0
    0.0664   -1.0591    9.3502 H   0  0  0  0  0
    1.4449    0.5890   10.5884 H   0  0  0  0  0
    3.7592    1.0765    9.8442 H   0  0  0  0  0
    4.6983   -0.0573    7.8669 H   0  0  0  0  0
    2.6757    2.8138    2.0602 H   0  0  0  0  0
    4.3784    4.4036    5.0002 H   0  0  0  0  0
    4.9948    6.7630    5.0019 H   0  0  0  0  0
    4.5580    8.1870    3.0434 H   0  0  0  0  0
    2.8223    4.8175    0.9959 H   0  0  0  0  0
    4.7419    9.2020    0.6012 H   0  0  0  0  0
    1.6044    7.9454   -1.8458 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 39  1  0  0  0
  1 40  1  0  0  0
  2  3  1  0  0  0
  2 41  1  0  0  0
  2 42  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 43  1  0  0  0
  4 44  1  0  0  0
  5  6  1  0  0  0
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  5 46  1  0  0  0
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  7 47  1  0  0  0
  7 48  1  0  0  0
  8  9  1  0  0  0
  8 49  1  0  0  0
  8 50  1  0  0  0
  9 25  1  0  0  0
  9 10  1  0  0  0
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 27 28  1  0  0  0
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 29 30  1  0  0  0
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 31 32  1  0  0  0
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 32 33  2  0  0  0
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 34 35  2  0  0  0
 34 38  1  0  0  0
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 36 37  2  0  0  0
 37 38  1  0  0  0
 37 72  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2349603

>  <PubChem CID>
16112870

>  <Formula>
C31H34N4O3

>  <Molecular Weight>
510.638000

>  <IUPAC Name>
1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)-3-[3-(1,3-oxazol-5-yl)phenyl]urea

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C31H34N4O3/c36-31(33-28-13-7-12-27(22-28)30-23-32-24-38-30)35(17-16-34-18-20-37-21-19-34)15-14-29(25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-13,22-24,29H,14-21H2,(H,33,36)

>  <InChI Key>
BAJDIRUBEAHUOL-UHFFFAOYSA-N

