
 SCHEMBL6919630

 47 49  0  0  0  0  0  0  0  0999 V2000
    2.4895    0.9686   -0.7943 C   0  0  0  0  0
    1.6881   -0.3232   -0.9221 C   0  0  0  0  0
    2.5981   -1.5312   -1.1395 C   0  0  0  0  0
    3.6813   -1.6488   -0.0571 C   0  0  0  0  0
    4.4619   -0.3387    0.0935 C   0  0  0  0  0
    3.5552    0.8734    0.2932 C   0  0  0  0  0
    3.1066   -2.0700    1.2196 N   0  0  0  0  0
    2.8428   -3.4061    1.4463 C   0  0  0  0  0
    3.1607   -4.2682    0.6354 O   0  0  0  0  0
    2.2361   -3.6092    2.6645 N   0  0  0  0  0
    1.9118   -4.8521    3.2526 C   0  0  0  0  0
    2.1507   -6.0823    2.6419 C   0  0  0  0  0
    1.8712   -7.2760    3.3119 C   0  0  0  0  0
    1.3384   -7.2774    4.6093 C   0  0  0  0  0
    1.0562   -6.0408    5.2015 C   0  0  0  0  0
    1.3436   -4.8420    4.5311 C   0  0  0  0  0
    1.1362   -8.6189    5.2972 C   0  0  0  0  0
    0.6939   -8.6318    6.7864 C   0  0  0  0  0
   -0.7353   -8.3273    6.9991 N   0  0  0  0  0
   -1.5388   -9.2023    6.1294 C   0  0  0  0  0
   -1.1016   -9.1156    4.6615 C   0  0  0  0  0
    0.2788   -9.4704    4.5078 O   0  0  0  0  0
    2.9698    1.1934   -1.7547 H   0  0  0  0  0
    1.8129    1.8016   -0.5736 H   0  0  0  0  0
    0.9872   -0.2385   -1.7602 H   0  0  0  0  0
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    5.0610   -0.1814   -0.8132 H   0  0  0  0  0
    3.0730    0.8172    1.2761 H   0  0  0  0  0
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    2.0842   -2.7913    3.2300 H   0  0  0  0  0
    2.5719   -6.1583    1.6454 H   0  0  0  0  0
    2.0836   -8.2197    2.8112 H   0  0  0  0  0
    0.6130   -5.9844    6.1928 H   0  0  0  0  0
    1.1215   -3.9041    5.0332 H   0  0  0  0  0
    2.1228   -9.1022    5.2798 H   0  0  0  0  0
    1.3047   -7.9410    7.3776 H   0  0  0  0  0
    0.8790   -9.6377    7.1867 H   0  0  0  0  0
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   -1.6860   -9.8226    4.0636 H   0  0  0  0  0
   -1.2795   -8.1158    4.2491 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
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  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
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 21 47  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL6919630

>  <PubChem CID>
67239602

>  <Formula>
C17H25N3O2

>  <Molecular Weight>
303.406000

>  <IUPAC Name>
1-cyclohexyl-3-(4-morpholin-2-ylphenyl)urea

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCC(CC1)NC(=O)NC2=CC=C(C=C2)C3CNCCO3

>  <Isomeric SMILES>
C1CCC(CC1)NC(=O)NC2=CC=C(C=C2)C3CNCCO3

>  <InChI Std. ID>
InChI=1S/C17H25N3O2/c21-17(19-14-4-2-1-3-5-14)20-15-8-6-13(7-9-15)16-12-18-10-11-22-16/h6-9,14,16,18H,1-5,10-12H2,(H2,19,20,21)

>  <InChI Key>
BHUVGALRNACQLG-UHFFFAOYSA-N

