
 SCHEMBL16465942

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M  END

>  <Chemical Name>
SCHEMBL16465942

>  <PubChem CID>
117872784

>  <Formula>
C23H21ClN6O3

>  <Molecular Weight>
464.910000

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

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CC(=C(C=C1)OC)C2=NC(=NO2)C3CCCN3C(=O)C4=C(C=CC(=C4)Cl)N5N=CC=N5

>  <Isomeric SMILES>
CC1=CC(=C(C=C1)OC)C2=NC(=NO2)[C@@H]3CCCN3C(=O)C4=C(C=CC(=C4)Cl)N5N=CC=N5

>  <InChI Std. ID>
InChI=1S/C23H21ClN6O3/c1-14-5-8-20(32-2)17(12-14)22-27-21(28-33-22)19-4-3-11-29(19)23(31)16-13-15(24)6-7-18(16)30-25-9-10-26-30/h5-10,12-13,19H,3-4,11H2,1-2H3/t19-/m0/s1

>  <InChI Key>
AIKROLIVVRRROF-IBGZPJMESA-N

