
 CHEMBL344994

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M  END

>  <Chemical Name>
CHEMBL344994

>  <PubChem CID>
10572792

>  <Formula>
C21H25N5OS

>  <Molecular Weight>
395.525000

>  <IUPAC Name>
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]pyridine-2-carboxamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CCN1CCCCNC(=O)C2=CC=CC=N2)C3=NSC4=CC=CC=C43

>  <Isomeric SMILES>
C1CN(CCN1CCCCNC(=O)C2=CC=CC=N2)C3=NSC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C21H25N5OS/c27-21(18-8-3-4-10-22-18)23-11-5-6-12-25-13-15-26(16-14-25)20-17-7-1-2-9-19(17)28-24-20/h1-4,7-10H,5-6,11-16H2,(H,23,27)

>  <InChI Key>
UEVPZHOMMNFGGS-UHFFFAOYSA-N

