
 SCHEMBL16463160

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M  END

>  <Chemical Name>
SCHEMBL16463160

>  <PubChem CID>
73775853

>  <Formula>
C23H18F4N6O3

>  <Molecular Weight>
502.430000

>  <IUPAC Name>
[2-fluoro-3-methyl-6-(triazol-2-yl)phenyl]-[(2S)-2-[3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone

>  <XlogP>
4.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CC1=C(C(=C(C=C1)N2N=CC=N2)C(=O)N3CCCC3C4=NC(=NO4)C5=CC=CC=C5OC(F)(F)F)F

>  <Isomeric SMILES>
CC1=C(C(=C(C=C1)N2N=CC=N2)C(=O)N3CCC[C@H]3C4=NC(=NO4)C5=CC=CC=C5OC(F)(F)F)F

>  <InChI Std. ID>
InChI=1S/C23H18F4N6O3/c1-13-8-9-15(33-28-10-11-29-33)18(19(13)24)22(34)32-12-4-6-16(32)21-30-20(31-36-21)14-5-2-3-7-17(14)35-23(25,26)27/h2-3,5,7-11,16H,4,6,12H2,1H3/t16-/m0/s1

>  <InChI Key>
AEVKXGFMSDEVKH-INIZCTEOSA-N

