
 SCHEMBL16465387

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M  END

>  <Chemical Name>
SCHEMBL16465387

>  <PubChem CID>
117872331

>  <Formula>
C24H23FN6O2

>  <Molecular Weight>
446.486000

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

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C=C(C(=C1)C(=O)N2CCCC2C3=NOC(=N3)C4=C(C(=CC=C4)F)C)N5N=CC=N5)C

>  <Isomeric SMILES>
CC1=C(C=C(C(=C1)C(=O)N2CCC[C@H]2C3=NOC(=N3)C4=C(C(=CC=C4)F)C)N5N=CC=N5)C

>  <InChI Std. ID>
InChI=1S/C24H23FN6O2/c1-14-12-18(21(13-15(14)2)31-26-9-10-27-31)24(32)30-11-5-8-20(30)22-28-23(33-29-22)17-6-4-7-19(25)16(17)3/h4,6-7,9-10,12-13,20H,5,8,11H2,1-3H3/t20-/m0/s1

>  <InChI Key>
AKMDANQXWMVNEY-FQEVSTJZSA-N

