
 CHEMBL142456

 58 62  0  0  0  0  0  0  0  0999 V2000
    0.2297    0.8471   -0.6836 C   0  0  0  0  0
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    1.3370    1.2699    3.2158 H   0  0  0  0  0
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  1  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL142456

>  <PubChem CID>
10717656

>  <Formula>
C24H27N5OS

>  <Molecular Weight>
433.574000

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

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCN1CCCCNC(=O)C2=CNC3=CC=CC=C32)C4=NSC5=CC=CC=C54

>  <Isomeric SMILES>
C1CN(CCN1CCCCNC(=O)C2=CNC3=CC=CC=C32)C4=NSC5=CC=CC=C54

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

>  <InChI Key>
NTTCFOLAAJRIDE-UHFFFAOYSA-N

