
 CHEMBL2348219

 69 71  0  0  0  0  0  0  0  0999 V2000
   -1.9491    4.2986   -3.9681 C   0  0  0  0  0
   -1.8459    3.4194   -2.7309 C   0  0  0  0  0
   -0.3863    3.0037   -2.7146 C   0  0  0  0  0
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    3.4995    1.9517   -4.5577 C   0  0  0  0  0
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   13.4250    0.5975   -7.4659 N   0  0  0  0  0
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   19.8765   -5.1297   -5.3673 O   0  0  0  0  0
   12.7398   -1.0626   -5.3605 O   0  0  0  0  0
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   -1.6971    5.3347   -3.7123 H   0  0  0  0  0
   -2.4898    2.5388   -2.8402 H   0  0  0  0  0
   -2.1407    3.9476   -1.8199 H   0  0  0  0  0
    0.2527    3.8151   -2.3457 H   0  0  0  0  0
   -0.2147    2.1318   -2.0761 H   0  0  0  0  0
   -0.4519    1.7044   -4.4536 H   0  0  0  0  0
   -0.2902    4.5600   -5.3465 H   0  0  0  0  0
   -1.4082    3.2827   -5.8107 H   0  0  0  0  0
    1.6952    0.8320   -4.1835 H   0  0  0  0  0
    2.1505    1.9305   -2.8687 H   0  0  0  0  0
    3.9041    2.9483   -4.3421 H   0  0  0  0  0
    3.4098    1.8352   -5.6448 H   0  0  0  0  0
    5.9994   -0.7649   -3.1477 H   0  0  0  0  0
    8.2247   -1.2693   -4.0311 H   0  0  0  0  0
    7.7099    1.7788   -7.0319 H   0  0  0  0  0
    5.5020    2.3015   -6.1376 H   0  0  0  0  0
   10.1453   -1.4803   -5.0074 H   0  0  0  0  0
   10.5491    0.1801   -4.5169 H   0  0  0  0  0
   11.5345   -1.3216   -7.0013 H   0  0  0  0  0
   12.1811    1.5174   -6.0469 H   0  0  0  0  0
   11.3562    1.0818   -7.5652 H   0  0  0  0  0
   13.3957   -0.1548   -8.1600 H   0  0  0  0  0
   13.9769    2.6215   -7.3757 H   0  0  0  0  0
   13.0931    2.1711   -8.8472 H   0  0  0  0  0
   15.5140    2.6242   -9.2892 H   0  0  0  0  0
   15.0602    0.9647   -9.7193 H   0  0  0  0  0
   16.5960    1.8218   -7.2994 H   0  0  0  0  0
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   17.8638   -1.2313   -4.3904 H   0  0  0  0  0
   18.9636   -3.3409   -3.7457 H   0  0  0  0  0
   19.4525   -4.3601   -7.8975 H   0  0  0  0  0
   18.3440   -2.2800   -8.5542 H   0  0  0  0  0
   20.1098   -5.6494   -6.1542 H   0  0  0  0  0
   13.5578   -0.8245   -5.8455 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  2 37  1  0  0  0
  2 38  1  0  0  0
  3  4  1  0  0  0
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  8  9  1  0  0  0
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 34 69  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2348219

>  <PubChem CID>
56597179

>  <Formula>
C25H35N3O6

>  <Molecular Weight>
473.570000

>  <IUPAC Name>
1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(4-hydroxyphenyl)urea

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CCC(C1)OCCOC2=CC=C(C=C2)OCC(CNCCNC(=O)NC3=CC=C(C=C3)O)O

>  <Isomeric SMILES>
C1CCC(C1)OCCOC2=CC=C(C=C2)OCC(CNCCNC(=O)NC3=CC=C(C=C3)O)O

>  <InChI Std. ID>
InChI=1S/C25H35N3O6/c29-20-7-5-19(6-8-20)28-25(31)27-14-13-26-17-21(30)18-34-24-11-9-23(10-12-24)33-16-15-32-22-3-1-2-4-22/h5-12,21-22,26,29-30H,1-4,13-18H2,(H2,27,28,31)

>  <InChI Key>
AEISDSYQXOEKFX-UHFFFAOYSA-N

