
 CHEMBL3717805

 62 67  0  0  0  0  0  0  0  0999 V2000
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   15.2999   -7.6480    0.4036 N   0  0  0  0  0
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    0.3201   -4.7564   -2.1374 H   0  0  0  0  0
    1.4755   -6.1369   -1.0694 H   0  0  0  0  0
    6.0925   -4.5277   -0.2985 H   0  0  0  0  0
    4.4640   -3.0651   -1.3789 H   0  0  0  0  0
    7.5283   -6.1740    0.0469 H   0  0  0  0  0
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   16.8124   -9.4730    2.8222 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3717805

>  <PubChem CID>
90242313

>  <Formula>
C26H27N3O6

>  <Molecular Weight>
477.517000

>  <IUPAC Name>
2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-ylmethoxy)-9-(oxan-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
C1CCOC(C1)COC2=CC3=C(C=C2)C4=CC(=NC(=O)N4CC3)OCC5COC6=C(O5)C=CC=N6

>  <Isomeric SMILES>
C1CCOC(C1)COC2=CC3=C(C=C2)C4=CC(=NC(=O)N4CC3)OCC5COC6=C(O5)C=CC=N6

>  <InChI Std. ID>
InChI=1S/C26H27N3O6/c30-26-28-24(33-15-20-16-34-25-23(35-20)5-3-9-27-25)13-22-21-7-6-18(12-17(21)8-10-29(22)26)32-14-19-4-1-2-11-31-19/h3,5-7,9,12-13,19-20H,1-2,4,8,10-11,14-16H2

>  <InChI Key>
GSXUEMWYKVVFRW-UHFFFAOYSA-N

