
 CHEMBL141485

 53 56  0  0  0  0  0  0  0  0999 V2000
    1.1239    1.1239   -0.2810 C   0  0  0  0  0
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    1.4840    1.1209   -1.3187 H   0  0  0  0  0
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    7.5554   -0.2795    8.9087 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL141485

>  <PubChem CID>
10597962

>  <Formula>
C20H25N5OS2

>  <Molecular Weight>
415.574000

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

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

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

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

>  <InChI Std. ID>
InChI=1S/C20H25N5OS2/c21-18-16(7-14-27-18)20(26)22-8-3-4-9-24-10-12-25(13-11-24)19-15-5-1-2-6-17(15)28-23-19/h1-2,5-7,14H,3-4,8-13,21H2,(H,22,26)

>  <InChI Key>
XJOFOTULUMAAAE-UHFFFAOYSA-N

