
 CHEMBL75670

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

>  <Chemical Name>
CHEMBL75670

>  <PubChem CID>
3073072

>  <Formula>
C24H27N5OS2

>  <Molecular Weight>
465.634000

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

>  <XlogP>
5.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CN(CCCCN1CCN(CC1)C2=NSC3=CC=CC=C32)C(=O)C4=NSC5=CC=CC=C54

>  <Isomeric SMILES>
CN(CCCCN1CCN(CC1)C2=NSC3=CC=CC=C32)C(=O)C4=NSC5=CC=CC=C54

>  <InChI Std. ID>
InChI=1S/C24H27N5OS2/c1-27(24(30)22-18-8-2-4-10-20(18)31-25-22)12-6-7-13-28-14-16-29(17-15-28)23-19-9-3-5-11-21(19)32-26-23/h2-5,8-11H,6-7,12-17H2,1H3

>  <InChI Key>
AKAGMBZAYKLABH-UHFFFAOYSA-N

