
 CHEMBL184882

 54 57  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL184882

>  <PubChem CID>
10157580

>  <Formula>
C22H25FN4O2

>  <Molecular Weight>
396.466000

>  <IUPAC Name>
3-(4-fluorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2,4-oxadiazole

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CN1CCN(CC1)CCCOC2=CC=C(C=C2)C3=NC(=NO3)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
CN1CCN(CC1)CCCOC2=CC=C(C=C2)C3=NC(=NO3)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C22H25FN4O2/c1-26-12-14-27(15-13-26)11-2-16-28-20-9-5-18(6-10-20)22-24-21(25-29-22)17-3-7-19(23)8-4-17/h3-10H,2,11-16H2,1H3

>  <InChI Key>
GNKVFODUBSVFGZ-UHFFFAOYSA-N

