
 CHEMBL295425

 68 72  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL295425

>  <PubChem CID>
44289197

>  <Formula>
C31H25F6N3O3

>  <Molecular Weight>
601.549000

>  <IUPAC Name>
N-[(2R,4S)-2-benzyl-1-[3,5-bis(trifluoromethyl)benzoyl]piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1CN(C(CC1NC(=O)C2=CC(=O)NC3=CC=CC=C32)CC4=CC=CC=C4)C(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
C1CN([C@@H](C[C@H]1NC(=O)C2=CC(=O)NC3=CC=CC=C32)CC4=CC=CC=C4)C(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C31H25F6N3O3/c32-30(33,34)20-13-19(14-21(15-20)31(35,36)37)29(43)40-11-10-22(16-23(40)12-18-6-2-1-3-7-18)38-28(42)25-17-27(41)39-26-9-5-4-8-24(25)26/h1-9,13-15,17,22-23H,10-12,16H2,(H,38,42)(H,39,41)/t22-,23+/m0/s1

>  <InChI Key>
XUVYYIIVCVDGFW-XZOQPEGZSA-N

