
 CHEMBL3718310

 56 61  0  0  0  0  0  0  0  0999 V2000
    7.6158    0.3107    2.0411 C   0  0  0  0  0
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  1 36  1  0  0  0
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  2  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3718310

>  <PubChem CID>
90242578

>  <Formula>
C24H21N5O6

>  <Molecular Weight>
475.461000

>  <IUPAC Name>
2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-ylmethoxy)-9-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=NOC(=N1)COC2=CC3=C(C=C2)C4=CC(=NC(=O)N4CC3)OCC5COC6=C(O5)C=CC=N6

>  <Isomeric SMILES>
CC1=NOC(=N1)COC2=CC3=C(C=C2)C4=CC(=NC(=O)N4CC3)OCC5COC6=C(O5)C=CC=N6

>  <InChI Std. ID>
InChI=1S/C24H21N5O6/c1-14-26-22(35-28-14)13-31-16-4-5-18-15(9-16)6-8-29-19(18)10-21(27-24(29)30)32-11-17-12-33-23-20(34-17)3-2-7-25-23/h2-5,7,9-10,17H,6,8,11-13H2,1H3

>  <InChI Key>
HDPHLTKETPUHES-UHFFFAOYSA-N

