
 CHEMBL141494

 53 56  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL141494

>  <PubChem CID>
10620723

>  <Formula>
C21H25N5OS

>  <Molecular Weight>
395.525000

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

>  <XlogP>
3.200

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

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

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

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

>  <InChI Key>
LEBIUZBOHXBTBZ-UHFFFAOYSA-N

