
 CHEMBL137185

 47 50  0  0  0  0  0  0  0  0999 V2000
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    2.0417   -1.2471    3.7753 C   0  0  0  0  0
    1.5100   -0.3016    4.3548 O   0  0  0  0  0
    2.6358   -2.3689    4.5280 C   0  0  0  0  0
    3.2436   -3.4563    3.9273 C   0  0  0  0  0
    3.8247   -4.6056    5.0398 S   0  0  0  0  0
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    3.4306   -4.0217    7.7449 C   0  0  0  0  0
    2.9369   -3.1538    8.7192 C   0  0  0  0  0
    2.3133   -1.9725    8.3523 C   0  0  0  0  0
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  1  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL137185

>  <PubChem CID>
10407711

>  <Formula>
C21H21ClN2OS

>  <Molecular Weight>
384.922000

>  <IUPAC Name>
1-(1-benzothiophen-3-yl)-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one

>  <XlogP>
5.000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1CCC(=O)C2=CSC3=CC=CC=C32)C4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
C1CN(CCN1CCC(=O)C2=CSC3=CC=CC=C32)C4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C21H21ClN2OS/c22-16-5-7-17(8-6-16)24-13-11-23(12-14-24)10-9-20(25)19-15-26-21-4-2-1-3-18(19)21/h1-8,15H,9-14H2

>  <InChI Key>
AEOGPKNAMFVZTP-UHFFFAOYSA-N

