
 CHEMBL3943626

 66 69  0  0  0  0  0  0  0  0999 V2000
    2.8482    1.3503   -5.5081 C   0  0  0  0  0
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    8.6222   -7.1453   -2.8868 O   0  0  0  0  0
    8.9946   -8.0765   -0.8973 O   0  0  0  0  0
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    5.9065    1.7001   -1.2064 H   0  0  0  0  0
    8.7473    3.2971   -4.0365 H   0  0  0  0  0
    7.3781    2.3881   -5.8925 H   0  0  0  0  0
    8.3145    2.2272    1.5799 H   0  0  0  0  0
   10.0241    1.8901    1.2274 H   0  0  0  0  0
    9.0578    0.1581    2.6560 H   0  0  0  0  0
    7.7273   -0.1405    1.5227 H   0  0  0  0  0
   10.2392   -1.3796   -1.1217 H   0  0  0  0  0
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    9.8595   -5.1502   -1.5265 H   0  0  0  0  0
    8.0977   -5.1249   -1.1038 H   0  0  0  0  0
    8.8137   -8.8443   -1.4794 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3943626

>  <PubChem CID>
134146324

>  <Formula>
C25H28N4O7S2

>  <Molecular Weight>
560.640000

>  <IUPAC Name>
2-[5-[4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]-2-(1,3-thiazol-2-ylcarbamoyl)phenoxy]acetic acid

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CC(C)OC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)C(=O)NC4=NC=CS4)OCC(=O)O

>  <Isomeric SMILES>
CC(C)OC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)C(=O)NC4=NC=CS4)OCC(=O)O

>  <InChI Std. ID>
InChI=1S/C25H28N4O7S2/c1-17(2)36-19-4-6-20(7-5-19)38(33,34)29-12-10-28(11-13-29)18-3-8-21(22(15-18)35-16-23(30)31)24(32)27-25-26-9-14-37-25/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,30,31)(H,26,27,32)

>  <InChI Key>
AXOZUBWCTIXKCR-UHFFFAOYSA-N

