
 CHEMBL328268

 67 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL328268

>  <PubChem CID>
10839106

>  <Formula>
C27H31F3N4O2

>  <Molecular Weight>
500.566000

>  <IUPAC Name>
(6S)-6-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C(NC(=O)N1C)C2=CC(=C(C=C2)F)F)C(=O)NCCCN3CCC(CC3)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
CC1=C([C@@H](NC(=O)N1C)C2=CC(=C(C=C2)F)F)C(=O)NCCCN3CCC(CC3)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C27H31F3N4O2/c1-17-24(25(32-27(36)33(17)2)20-6-9-22(29)23(30)16-20)26(35)31-12-3-13-34-14-10-19(11-15-34)18-4-7-21(28)8-5-18/h4-9,16,19,25H,3,10-15H2,1-2H3,(H,31,35)(H,32,36)/t25-/m0/s1

>  <InChI Key>
ACXCLVVRXJUJEC-VWLOTQADSA-N

