
 MLS000092499

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M  END

>  <Chemical Name>
MLS000092499

>  <PubChem CID>
3242312

>  <Formula>
C26H31FN4O2S

>  <Molecular Weight>
482.618000

>  <IUPAC Name>
2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]acetamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCCCN3CCN(CC3)C4=CC=CC=C4F

>  <Isomeric SMILES>
CCN1C2=CC=CC=C2C(=CC1=O)SCC(=O)NCCCN3CCN(CC3)C4=CC=CC=C4F

>  <InChI Std. ID>
InChI=1S/C26H31FN4O2S/c1-2-31-22-10-5-3-8-20(22)24(18-26(31)33)34-19-25(32)28-12-7-13-29-14-16-30(17-15-29)23-11-6-4-9-21(23)27/h3-6,8-11,18H,2,7,12-17,19H2,1H3,(H,28,32)

>  <InChI Key>
AUNYTVRZCBFVRC-UHFFFAOYSA-N

