
 CHEMBL2153461

 62 66  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL2153461

>  <PubChem CID>
53358775

>  <Formula>
C31H23F4N3O

>  <Molecular Weight>
529.539000

>  <IUPAC Name>
N-[(1S)-1-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]ethyl]-2-[4-(1,8-naphthyridin-2-yl)phenyl]acetamide

>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C1=CC=C(C=C1)C2=CC(=C(C=C2)F)C(F)(F)F)NC(=O)CC3=CC=C(C=C3)C4=NC5=C(C=CC=N5)C=C4

>  <Isomeric SMILES>
C[C@@H](C1=CC=C(C=C1)C2=CC(=C(C=C2)F)C(F)(F)F)NC(=O)CC3=CC=C(C=C3)C4=NC5=C(C=CC=N5)C=C4

>  <InChI Std. ID>
InChI=1S/C31H23F4N3O/c1-19(21-8-10-22(11-9-21)25-12-14-27(32)26(18-25)31(33,34)35)37-29(39)17-20-4-6-23(7-5-20)28-15-13-24-3-2-16-36-30(24)38-28/h2-16,18-19H,17H2,1H3,(H,37,39)/t19-/m0/s1

>  <InChI Key>
SSQLYMLUWZAJTK-IBGZPJMESA-N

