
 CHEMBL68985

 81 87  0  0  0  0  0  0  0  0999 V2000
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    9.4987    2.8558    1.3889 H   0  0  0  0  0
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    7.5565    6.3621    2.4793 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL68985

>  <PubChem CID>
44309403

>  <Formula>
C37H34FN5O4

>  <Molecular Weight>
631.708000

>  <IUPAC Name>
6-(1,3-benzodioxol-5-yl)-8-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-7-methyl-3-[[methyl(2-pyridin-4-ylethyl)amino]methyl]imidazo[1,2-a]pyrimidin-5-one

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=C(C(=O)N2C(=C(N=C2N1CC3=CC=CC=C3F)C4=CC=C(C=C4)OC)CN(C)CCC5=CC=NC=C5)C6=CC7=C(C=C6)OCO7

>  <Isomeric SMILES>
CC1=C(C(=O)N2C(=C(N=C2N1CC3=CC=CC=C3F)C4=CC=C(C=C4)OC)CN(C)CCC5=CC=NC=C5)C6=CC7=C(C=C6)OCO7

>  <InChI Std. ID>
InChI=1S/C37H34FN5O4/c1-24-34(27-10-13-32-33(20-27)47-23-46-32)36(44)43-31(22-41(2)19-16-25-14-17-39-18-15-25)35(26-8-11-29(45-3)12-9-26)40-37(43)42(24)21-28-6-4-5-7-30(28)38/h4-15,17-18,20H,16,19,21-23H2,1-3H3

>  <InChI Key>
AQZSZTYPDANNPB-UHFFFAOYSA-N

