
 CHEMBL160290

 78 80  0  0  0  0  0  0  0  0999 V2000
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    8.9123    7.8946   -6.2123 H   0  0  0  0  0
   10.6239    8.0397   -5.6632 H   0  0  0  0  0
    7.2666   12.4169   -7.1737 H   0  0  0  0  0
    7.5182   10.6862   -6.9438 H   0  0  0  0  0
    8.9111   11.8427   -6.8942 H   0  0  0  0  0
    4.7191   13.3325   -3.4319 H   0  0  0  0  0
    5.2770   12.4261   -4.8346 H   0  0  0  0  0
    6.4078   13.4981   -3.8980 H   0  0  0  0  0
    3.7147    1.4003    1.3174 H   0  0  0  0  0
    0.1419    2.2893    3.6098 H   0  0  0  0  0
    2.1437    4.3083    4.7381 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL160290

>  <PubChem CID>
44372435

>  <Formula>
C28H40N2O8

>  <Molecular Weight>
532.634000

>  <IUPAC Name>
1-butan-2-yl-1-hydroxy-3-[3-methoxy-2-propoxy-5-[5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]urea

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCCOC1=C(C=C(C=C1OC)C2CCC(O2)C3=CC(=C(C(=C3)OC)OC)OC)NC(=O)N(C(C)CC)O

>  <Isomeric SMILES>
CCCOC1=C(C=C(C=C1OC)C2CCC(O2)C3=CC(=C(C(=C3)OC)OC)OC)NC(=O)N(C(C)CC)O

>  <InChI Std. ID>
InChI=1S/C28H40N2O8/c1-8-12-37-26-20(29-28(31)30(32)17(3)9-2)13-18(14-23(26)33-4)21-10-11-22(38-21)19-15-24(34-5)27(36-7)25(16-19)35-6/h13-17,21-22,32H,8-12H2,1-7H3,(H,29,31)

>  <InChI Key>
APPWRAFBZLNNIZ-UHFFFAOYSA-N

