
 SCHEMBL1613428

 72 75  0  0  0  0  0  0  0  0999 V2000
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    4.5212   10.1086    1.2491 H   0  0  0  0  0
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    6.6065   11.2797    1.5898 H   0  0  0  0  0
    7.3823   13.3170    0.6709 H   0  0  0  0  0
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    9.5788   12.1843    0.5769 H   0  0  0  0  0
    9.7033   13.6701   -0.3708 H   0  0  0  0  0
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    7.7621    2.1142    3.2011 H   0  0  0  0  0
    6.4447    3.2879    3.2914 H   0  0  0  0  0
    7.8693    3.5801    2.2202 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL1613428

>  <PubChem CID>
58223384

>  <Formula>
C26H37N3O5S

>  <Molecular Weight>
503.658000

>  <IUPAC Name>
3-[2,6-dimethoxy-4-(propan-2-yloxymethyl)phenyl]-6-methoxy-N-(oxan-4-yl)-N-propylpyrazolo[5,1-b][1,3]thiazol-7-amine

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCCN(C1CCOCC1)C2=C3N(C(=CS3)C4=C(C=C(C=C4OC)COC(C)C)OC)N=C2OC

>  <Isomeric SMILES>
CCCN(C1CCOCC1)C2=C3N(C(=CS3)C4=C(C=C(C=C4OC)COC(C)C)OC)N=C2OC

>  <InChI Std. ID>
InChI=1S/C26H37N3O5S/c1-7-10-28(19-8-11-33-12-9-19)24-25(32-6)27-29-20(16-35-26(24)29)23-21(30-4)13-18(14-22(23)31-5)15-34-17(2)3/h13-14,16-17,19H,7-12,15H2,1-6H3

>  <InChI Key>
AYIUUGNPOPNTIJ-UHFFFAOYSA-N

