
 CHEMBL3716334

 64 69  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3716334

>  <PubChem CID>
76684895

>  <Formula>
C27H29N3O5

>  <Molecular Weight>
475.545000

>  <IUPAC Name>
2-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-9-(2-pyrrolidin-1-ylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CCN(C1)CCOC2=CC3=C(C=C2)C4=CC(=NC(=O)N4CC3)OCC5COC6=CC=CC=C6O5

>  <Isomeric SMILES>
C1CCN(C1)CCOC2=CC3=C(C=C2)C4=CC(=NC(=O)N4CC3)OCC5COC6=CC=CC=C6O5

>  <InChI Std. ID>
InChI=1S/C27H29N3O5/c31-27-28-26(34-18-21-17-33-24-5-1-2-6-25(24)35-21)16-23-22-8-7-20(15-19(22)9-12-30(23)27)32-14-13-29-10-3-4-11-29/h1-2,5-8,15-16,21H,3-4,9-14,17-18H2

>  <InChI Key>
FLTYZNHFYKQPKJ-UHFFFAOYSA-N

