
 CHEMBL417645

 68 71  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL417645

>  <PubChem CID>
11226470

>  <Formula>
C29H29F3N4O3

>  <Molecular Weight>
538.571000

>  <IUPAC Name>
1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methyl-3-[2-[methyl(2-pyridin-2-ylethyl)amino]ethyl]pyrimidine-2,4-dione

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)F)CCN(C)CCC3=CC=CC=N3)C4=C(C(=CC=C4)OC)F

>  <Isomeric SMILES>
CC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)F)CCN(C)CCC3=CC=CC=N3)C4=C(C(=CC=C4)OC)F

>  <InChI Std. ID>
InChI=1S/C29H29F3N4O3/c1-19-26(21-9-6-12-25(39-3)27(21)32)28(37)35(17-16-34(2)15-13-20-8-4-5-14-33-20)29(38)36(19)18-22-23(30)10-7-11-24(22)31/h4-12,14H,13,15-18H2,1-3H3

>  <InChI Key>
ADYYHGJMWPGLSW-UHFFFAOYSA-N

