
 CHEMBL503007

 78 82  0  0  0  0  0  0  0  0999 V2000
    7.9526   -4.6270    3.0065 C   0  0  0  0  0
    8.5416   -3.3880    3.3993 O   0  0  0  0  0
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   12.6182   -3.6035    4.1690 C   0  0  0  0  0
   12.1651   -2.8677    3.0669 C   0  0  0  0  0
   10.8044   -2.8127    2.6862 C   0  0  0  0  0
   10.4507   -2.0834    1.5171 N   0  0  0  0  0
    9.0139   -1.9866    1.1814 C   0  0  0  0  0
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    9.5160   -1.5282   -1.2786 N   0  0  0  0  0
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   11.3173   -2.3720    0.3423 C   0  0  0  0  0
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    7.2905   -1.8100   -3.2574 C   0  0  0  0  0
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    3.4376    0.4549   -4.6553 C   0  0  0  0  0
    3.2902    1.8109   -4.9738 C   0  0  0  0  0
    4.1905    2.7485   -4.4857 C   0  0  0  0  0
    5.2295    2.3316   -3.6666 C   0  0  0  0  0
    5.3752    0.9771   -3.3499 C   0  0  0  0  0
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    4.3983   -3.8851   -8.8621 O   0  0  0  0  0
    4.2946   -3.3046  -10.1663 C   0  0  0  0  0
    7.5630   -4.2481   -3.0090 O   0  0  0  0  0
    7.6361   -5.1884    3.8902 H   0  0  0  0  0
    8.6178   -5.2310    2.3809 H   0  0  0  0  0
    7.0603   -4.3907    2.4177 H   0  0  0  0  0
    9.6439   -4.7064    5.3241 H   0  0  0  0  0
   12.0592   -4.8596    5.8228 H   0  0  0  0  0
   13.6782   -3.6185    4.4092 H   0  0  0  0  0
   12.9130   -2.3006    2.5190 H   0  0  0  0  0
    8.4687   -1.5045    2.0007 H   0  0  0  0  0
    8.6021   -2.9836    0.9950 H   0  0  0  0  0
    7.6732   -1.1364   -0.2908 H   0  0  0  0  0
    8.9921   -0.0905    0.1515 H   0  0  0  0  0
   11.5652   -1.8187   -1.7462 H   0  0  0  0  0
   11.2271   -0.4722   -0.6881 H   0  0  0  0  0
   11.2510   -3.4376    0.0900 H   0  0  0  0  0
   12.3674   -2.1486    0.5533 H   0  0  0  0  0
    9.3231   -3.6580   -1.1139 H   0  0  0  0  0
    9.7994   -3.0636   -2.6783 H   0  0  0  0  0
    7.0124   -3.0277   -1.4770 H   0  0  0  0  0
    8.0663   -1.6949   -4.0253 H   0  0  0  0  0
    7.2703   -0.8880   -2.6834 H   0  0  0  0  0
    4.2007    0.0094   -1.1799 H   0  0  0  0  0
    3.7227   -0.7918    1.0688 H   0  0  0  0  0
    3.5502   -3.2166    1.5455 H   0  0  0  0  0
    3.8973   -4.8573   -0.2831 H   0  0  0  0  0
    4.4323   -4.1025   -2.5424 H   0  0  0  0  0
    2.6910   -0.2180   -5.0725 H   0  0  0  0  0
    2.4673    2.1276   -5.6115 H   0  0  0  0  0
    4.0779    3.7989   -4.7384 H   0  0  0  0  0
    5.9317    3.0595   -3.2670 H   0  0  0  0  0
    6.1844    0.7234   -2.6772 H   0  0  0  0  0
    3.2636   -4.2889   -6.2920 H   0  0  0  0  0
    4.9819   -4.6534   -6.6386 H   0  0  0  0  0
    3.6339   -2.4342  -10.1965 H   0  0  0  0  0
    3.8846   -4.0667  -10.8347 H   0  0  0  0  0
    5.2923   -3.0341  -10.5185 H   0  0  0  0  0
    7.7837   -4.1046   -3.9532 H   0  0  0  0  0
  1  2  1  0  0  0
  1 43  1  0  0  0
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  6  7  1  0  0  0
  6 48  1  0  0  0
  7  8  2  0  0  0
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  9 10  1  0  0  0
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 18 19  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL503007

>  <PubChem CID>
44586479

>  <Formula>
C32H36N4O6

>  <Molecular Weight>
572.662000

>  <IUPAC Name>
methyl 2-[3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,5-dioxo-4,4-diphenylimidazolidin-1-yl]acetate

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC(CN3C(=O)N(C(=O)C3(C4=CC=CC=C4)C5=CC=CC=C5)CC(=O)OC)O

>  <Isomeric SMILES>
COC1=CC=CC=C1N2CCN(CC2)CC(CN3C(=O)N(C(=O)C3(C4=CC=CC=C4)C5=CC=CC=C5)CC(=O)OC)O

>  <InChI Std. ID>
InChI=1S/C32H36N4O6/c1-41-28-16-10-9-15-27(28)34-19-17-33(18-20-34)21-26(37)22-36-31(40)35(23-29(38)42-2)30(39)32(36,24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-16,26,37H,17-23H2,1-2H3

>  <InChI Key>
CLVNHGRETDEYIG-UHFFFAOYSA-N

