
 CHEMBL3717323

 67 72  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3717323

>  <PubChem CID>
90253075

>  <Formula>
C27H30N4O6

>  <Molecular Weight>
506.559000

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

>  <XlogP>
1.6

>  <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)COCCN6CCOCC6

>  <Isomeric SMILES>
C1CN2C(=CC(=NC2=O)OCC3COC4=C(O3)C=CC=N4)C5=C1C=C(C=C5)COCCN6CCOCC6

>  <InChI Std. ID>
InChI=1S/C27H30N4O6/c32-27-29-25(35-17-21-18-36-26-24(37-21)2-1-6-28-26)15-23-22-4-3-19(14-20(22)5-7-31(23)27)16-34-13-10-30-8-11-33-12-9-30/h1-4,6,14-15,21H,5,7-13,16-18H2

>  <InChI Key>
BTFOUHCGWXNROS-UHFFFAOYSA-N

