
 CHEMBL358268

 59 63  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL358268

>  <PubChem CID>
10575339

>  <Formula>
C25H27N5OS

>  <Molecular Weight>
445.585000

>  <IUPAC Name>
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]quinoline-8-carboxamide

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CCN1CCCCNC(=O)C2=CC=CC3=C2N=CC=C3)C4=NSC5=CC=CC=C54

>  <Isomeric SMILES>
C1CN(CCN1CCCCNC(=O)C2=CC=CC3=C2N=CC=C3)C4=NSC5=CC=CC=C54

>  <InChI Std. ID>
InChI=1S/C25H27N5OS/c31-25(21-10-5-7-19-8-6-13-26-23(19)21)27-12-3-4-14-29-15-17-30(18-16-29)24-20-9-1-2-11-22(20)32-28-24/h1-2,5-11,13H,3-4,12,14-18H2,(H,27,31)

>  <InChI Key>
RKPLYODDRKZPRV-UHFFFAOYSA-N

