
 CHEMBL343228

 58 62  0  0  0  0  0  0  0  0999 V2000
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    3.5100    4.3572    3.4539 C   0  0  0  0  0
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    4.8857    4.7308    3.0246 C   0  0  0  0  0
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    1.7610   -0.8514    1.9180 H   0  0  0  0  0
    0.1438   -0.1928    1.7561 H   0  0  0  0  0
    2.6878    1.4260    2.1952 H   0  0  0  0  0
    1.4389    1.0655    3.3679 H   0  0  0  0  0
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  1  6  1  0  0  0
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  1 32  1  0  0  0
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  2 35  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL343228

>  <PubChem CID>
11797049

>  <Formula>
C24H27N5OS

>  <Molecular Weight>
433.574000

>  <IUPAC Name>
N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-1H-indole-7-carboxamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1CCCCNC(=O)C2=CC=CC3=C2NC=C3)C4=NSC5=CC=CC=C54

>  <Isomeric SMILES>
C1CN(CCN1CCCCNC(=O)C2=CC=CC3=C2NC=C3)C4=NSC5=CC=CC=C54

>  <InChI Std. ID>
InChI=1S/C24H27N5OS/c30-24(20-8-5-6-18-10-12-25-22(18)20)26-11-3-4-13-28-14-16-29(17-15-28)23-19-7-1-2-9-21(19)31-27-23/h1-2,5-10,12,25H,3-4,11,13-17H2,(H,26,30)

>  <InChI Key>
WPFSGXCJMOESPT-UHFFFAOYSA-N

