
 CHEMBL2349584

 76 79  0  0  0  0  0  0  0  0999 V2000
    4.9784   -2.1038    0.2094 C   0  0  0  0  0
    6.4606   -1.6907    0.2695 C   0  0  0  0  0
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    2.8823    0.3949    2.2290 C   0  0  0  0  0
    2.7911    0.7665    3.6502 N   0  0  0  0  0
    1.9004   -0.0274    4.5185 C   0  0  0  0  0
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    7.0889   -2.5388   -0.0211 H   0  0  0  0  0
    6.7596   -1.3942    1.2811 H   0  0  0  0  0
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    6.1280    1.2760   -1.1111 H   0  0  0  0  0
    3.7864    1.0052   -0.2945 H   0  0  0  0  0
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    1.9074    0.0124    1.9062 H   0  0  0  0  0
    3.0470    1.3312    1.6835 H   0  0  0  0  0
    1.0228   -0.2941    3.9238 H   0  0  0  0  0
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    1.4704   -2.9760    3.2018 H   0  0  0  0  0
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   -2.7543   -3.6856    3.1773 H   0  0  0  0  0
   -2.8658   -3.1934    5.6051 H   0  0  0  0  0
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    0.7827   -4.2642    7.5210 H   0  0  0  0  0
    1.9808   -6.1640    8.4899 H   0  0  0  0  0
    4.4049   -6.4733    8.0662 H   0  0  0  0  0
    5.6194   -4.8489    6.6413 H   0  0  0  0  0
    4.4616   -2.9590    5.6434 H   0  0  0  0  0
    2.3761    2.4246    5.3799 H   0  0  0  0  0
    2.4533    4.3505    6.6571 H   0  0  0  0  0
    3.7711    6.0040    7.9191 H   0  0  0  0  0
    6.2249    5.7822    8.0828 H   0  0  0  0  0
    6.0761    2.2565    5.6017 H   0  0  0  0  0
    9.7982    4.6106    9.4159 H   0  0  0  0  0
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    9.1369    1.7384    8.5452 H   0  0  0  0  0
    8.6459    2.4629   10.0776 H   0  0  0  0  0
   10.6010    1.2140   10.1305 H   0  0  0  0  0
  1  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2349584

>  <PubChem CID>
58938101

>  <Formula>
C31H37N3O5

>  <Molecular Weight>
531.653000

>  <IUPAC Name>
2-hydroxyethyl 3-[[3,3-diphenylpropyl(2-morpholin-4-ylethyl)carbamoyl]amino]benzoate

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

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

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

>  <InChI Std. ID>
InChI=1S/C31H37N3O5/c35-20-23-39-30(36)27-12-7-13-28(24-27)32-31(37)34(17-16-33-18-21-38-22-19-33)15-14-29(25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-13,24,29,35H,14-23H2,(H,32,37)

>  <InChI Key>
ARHAZJRORQUNEU-UHFFFAOYSA-N

