
 CHEMBL545372

 58 60  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL545372

>  <PubChem CID>
45259386

>  <Formula>
C22H27Cl2N5OS

>  <Molecular Weight>
480.452000

>  <IUPAC Name>
2-amino-N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-6-chlorobenzamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CN(CCN1CCCCNC(=O)C2=C(C=CC=C2Cl)N)C3=NSC4=CC=CC=C43.Cl

>  <Isomeric SMILES>
C1CN(CCN1CCCCNC(=O)C2=C(C=CC=C2Cl)N)C3=NSC4=CC=CC=C43.Cl

>  <InChI Std. ID>
InChI=1S/C22H26ClN5OS.ClH/c23-17-7-5-8-18(24)20(17)22(29)25-10-3-4-11-27-12-14-28(15-13-27)21-16-6-1-2-9-19(16)30-26-21;/h1-2,5-9H,3-4,10-15,24H2,(H,25,29);1H

>  <InChI Key>
ACWHLRSNICHJIE-UHFFFAOYSA-N

