
 CHEMBL3714891

 54 59  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3714891

>  <PubChem CID>
90242131

>  <Formula>
C24H20N4O6

>  <Molecular Weight>
460.446000

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

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1CN2C(=CC(=NC2=O)OCC3COC4=C(O3)C=CC=N4)C5=C1C=C(C=C5)OCC6=NC=CO6

>  <Isomeric SMILES>
C1CN2C(=CC(=NC2=O)OC[C@H]3COC4=C(O3)C=CC=N4)C5=C1C=C(C=C5)OCC6=NC=CO6

>  <InChI Std. ID>
InChI=1S/C24H20N4O6/c29-24-27-21(32-12-17-13-33-23-20(34-17)2-1-6-26-23)11-19-18-4-3-16(10-15(18)5-8-28(19)24)31-14-22-25-7-9-30-22/h1-4,6-7,9-11,17H,5,8,12-14H2/t17-/m0/s1

>  <InChI Key>
HHTNGPVJFZDSCC-KRWDZBQOSA-N

