
 CHEMBL113927

 71 74  0  0  0  0  0  0  0  0999 V2000
    0.9179   -2.9767    2.6788 C   0  0  0  0  0
    2.1226   -2.1971    2.2473 C   0  0  0  0  0
    2.7918   -2.6456    1.1666 N   0  0  0  0  0
    3.8640   -1.9351    0.7803 C   0  0  0  0  0
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    7.5137  -11.0421   -3.5971 C   0  0  0  0  0
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   10.6071  -13.2977   -5.7103 C   0  0  0  0  0
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    0.0460   -2.3194    2.7546 H   0  0  0  0  0
    1.1010   -3.4470    3.6496 H   0  0  0  0  0
    4.0238    0.4597    2.9576 H   0  0  0  0  0
    1.9889   -0.7178    3.8185 H   0  0  0  0  0
    4.5279   -3.5894   -1.9197 H   0  0  0  0  0
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    1.1110  -10.9521    3.4799 H   0  0  0  0  0
    3.2656   -9.8232    3.7832 H   0  0  0  0  0
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   -2.1038  -11.5822    1.8120 H   0  0  0  0  0
    4.3889  -10.9737   -0.3937 H   0  0  0  0  0
    6.1442  -13.8426   -2.2247 H   0  0  0  0  0
    8.2891  -14.7743   -2.8894 H   0  0  0  0  0
    9.4565  -10.9148   -4.4747 H   0  0  0  0  0
    7.2887   -9.9990   -3.8068 H   0  0  0  0  0
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   12.5530  -13.1135   -3.7271 H   0  0  0  0  0
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    9.8012  -13.8010   -6.2577 H   0  0  0  0  0
   11.5586  -13.7177   -6.0569 H   0  0  0  0  0
   10.5972  -12.2431   -6.0066 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL113927

>  <PubChem CID>
10875450

>  <Formula>
C28H31N5O6S

>  <Molecular Weight>
565.645000

>  <IUPAC Name>
4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-[2-(4-methylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]benzenesulfonamide

>  <XlogP>
5.200

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CC1=NC(=NC=C1)OCCOC2=NC=NC(=C2OC3=CC(=CC=C3)OC)NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

>  <Isomeric SMILES>
CC1=NC(=NC=C1)OCCOC2=NC=NC(=C2OC3=CC(=CC=C3)OC)NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

>  <InChI Std. ID>
InChI=1S/C28H31N5O6S/c1-19-13-14-29-27(32-19)38-16-15-37-26-24(39-22-8-6-7-21(17-22)36-5)25(30-18-31-26)33-40(34,35)23-11-9-20(10-12-23)28(2,3)4/h6-14,17-18H,15-16H2,1-5H3,(H,30,31,33)

>  <InChI Key>
FYILNUZDAXWHCT-UHFFFAOYSA-N

