
 CHEMBL536800

 67 67  0  0  0  0  0  0  0  0999 V2000
    1.1549    0.5816   -1.0319 C   0  0  0  0  0
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    8.7584    3.0491    2.5982 C   0  0  0  0  0
   12.4500    2.9632    2.6615 N   0  0  0  0  0
   13.1735    1.4697    3.2385 S   0  0  0  0  0
   14.5370    1.9174    3.7824 O   0  0  0  0  0
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   13.3447    0.0393    2.1167 C   0  0  0  0  0
    5.0325    4.0495   -0.6530 O   0  0  0  0  0
   -0.1338   -2.9357   -0.4060 Cl  0  0  0  0  0
   -1.5131   -0.6526    2.6576 Cl  0  0  0  0  0
    1.2640    0.9205   -2.0829 H   0  0  0  0  0
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    0.6685   -0.4150   -1.0795 H   0  0  0  0  0
    1.4504    0.6004    1.6613 H   0  0  0  0  0
    3.0810   -0.1784    1.7517 H   0  0  0  0  0
    1.7045   -1.0616    1.0258 H   0  0  0  0  0
    3.0215   -1.4496   -1.0375 H   0  0  0  0  0
    4.4381   -0.5023   -0.4367 H   0  0  0  0  0
    3.3364    0.0987   -4.8924 H   0  0  0  0  0
    4.6245   -1.0335   -6.5335 H   0  0  0  0  0
    7.1219   -2.7612   -3.4813 H   0  0  0  0  0
    5.6782   -1.5839   -1.7599 H   0  0  0  0  0
    8.3787   -3.6632   -5.1270 H   0  0  0  0  0
    9.1712   -4.3594   -7.5692 H   0  0  0  0  0
    5.7648   -1.9932   -7.9827 H   0  0  0  0  0
    2.3486    2.5005    0.3732 H   0  0  0  0  0
    5.1585    1.5789    0.0494 H   0  0  0  0  0
    4.2694    1.7051    1.6242 H   0  0  0  0  0
    4.0656    4.1407    1.1720 H   0  0  0  0  0
    6.0417    3.3141    2.4604 H   0  0  0  0  0
    6.4574    4.7316    1.4171 H   0  0  0  0  0
    9.3735    2.4487   -0.6846 H   0  0  0  0  0
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    7.9775    3.1566    3.2955 H   0  0  0  0  0
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   12.4849   -0.0267    1.4180 H   0  0  0  0  0
   13.3798   -0.8918    2.7210 H   0  0  0  0  0
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    4.8942    5.0327   -0.5901 H   0  0  0  0  0
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   -0.2708   -0.5152    3.2311 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2 17  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 39  1  0  0  0
  3 40  1  0  0  0
  3 41  1  0  0  0
  4  5  1  0  0  0
  4 42  1  0  0  0
  4 43  1  0  0  0
  5  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL536800

>  <PubChem CID>
45263942

>  <Formula>
C23H32Cl2N4O5S

>  <Molecular Weight>
547.492000

>  <IUPAC Name>
N-[4-[2-hydroxy-3-[[1-(4-imidazol-1-ylphenoxy)-2-methylpropan-2-yl]amino]propoxy]phenyl]methanesulfonamide;dihydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)(COC1=CC=C(C=C1)N2C=CN=C2)NCC(COC3=CC=C(C=C3)NS(=O)(=O)C)O.Cl.Cl

>  <Isomeric SMILES>
CC(C)(COC1=CC=C(C=C1)N2C=CN=C2)NCC(COC3=CC=C(C=C3)NS(=O)(=O)C)O.Cl.Cl

>  <InChI Std. ID>
InChI=1S/C23H30N4O5S.2ClH/c1-23(2,16-32-22-10-6-19(7-11-22)27-13-12-24-17-27)25-14-20(28)15-31-21-8-4-18(5-9-21)26-33(3,29)30;;/h4-13,17,20,25-26,28H,14-16H2,1-3H3;2*1H

>  <InChI Key>
FJIAZEDOOJDHOD-UHFFFAOYSA-N

