
 CHEMBL287791

 68 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL287791

>  <PubChem CID>
44289100

>  <Formula>
C28H32F3N3O2

>  <Molecular Weight>
499.578000

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

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

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

>  <InChI Std. ID>
InChI=1S/C28H32F3N3O2/c1-18-27(23(17-26(35)33(18)2)21-6-9-24(30)25(31)16-21)28(36)32-12-3-13-34-14-10-20(11-15-34)19-4-7-22(29)8-5-19/h4-9,16,20,23H,3,10-15,17H2,1-2H3,(H,32,36)/t23-/m1/s1

>  <InChI Key>
AADBHVDMLFAXQC-HSZRJFAPSA-N

