
 CHEMBL1255085

 54 56  0  0  0  0  0  0  0  0999 V2000
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    5.6580   -4.3331   -7.4276 C   0  0  0  0  0
    4.2162   -4.0515   -7.5434 N   0  0  0  0  0
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    1.9898   -2.3199  -10.4092 O   0  0  0  0  0
    4.1250  -11.5451   -1.5841 H   0  0  0  0  0
    3.9317  -13.0030   -3.5810 H   0  0  0  0  0
    4.1810  -12.0502   -5.8433 H   0  0  0  0  0
    4.7896   -8.1430   -4.1092 H   0  0  0  0  0
    4.5367   -9.1143   -1.8567 H   0  0  0  0  0
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  1  2  2  0  0  0
  1  6  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3  4  2  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 33  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
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  8  9  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1255085

>  <PubChem CID>
52944674

>  <Formula>
C23H25NO5

>  <Molecular Weight>
395.455000

>  <IUPAC Name>
2-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]ethoxy]benzene-1,3-diol

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C(C=C1)COC2=CC=CC=C2OCCNCCOC3=C(C=CC=C3O)O

>  <Isomeric SMILES>
C1=CC=C(C=C1)COC2=CC=CC=C2OCCNCCOC3=C(C=CC=C3O)O

>  <InChI Std. ID>
InChI=1S/C23H25NO5/c25-19-9-6-10-20(26)23(19)28-16-14-24-13-15-27-21-11-4-5-12-22(21)29-17-18-7-2-1-3-8-18/h1-12,24-26H,13-17H2

>  <InChI Key>
ADSQCTGZHJXUFN-UHFFFAOYSA-N

