
 CHEMBL119774

 72 75  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL119774

>  <PubChem CID>
11283954

>  <Formula>
C29H34F3N3O3

>  <Molecular Weight>
529.604000

>  <IUPAC Name>
3-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-1-[(2,6-difluorophenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-6-methylpyrimidine-2,4-dione

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)F)CC(C3CCCCC3)N(C)C)C4=C(C(=CC=C4)OC)F

>  <Isomeric SMILES>
CC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)F)C[C@@H](C3CCCCC3)N(C)C)C4=C(C(=CC=C4)OC)F

>  <InChI Std. ID>
InChI=1S/C29H34F3N3O3/c1-18-26(20-12-8-15-25(38-4)27(20)32)28(36)35(17-24(33(2)3)19-10-6-5-7-11-19)29(37)34(18)16-21-22(30)13-9-14-23(21)31/h8-9,12-15,19,24H,5-7,10-11,16-17H2,1-4H3/t24-/m0/s1

>  <InChI Key>
ABKCSLALYYXMKC-DEOSSOPVSA-N

