
 CHEMBL1782812

 53 56  0  0  0  0  0  0  0  0999 V2000
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   -1.0927   -2.5909   -0.5937 H   0  0  0  0  0
    1.3045   -2.7033   -0.0580 H   0  0  0  0  0
    1.0300   -1.9785   -1.6166 H   0  0  0  0  0
    2.7087   -0.6462   -0.4528 H   0  0  0  0  0
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  1  6  1  0  0  0
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  2 29  1  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  4  5  1  0  0  0
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  4 31  1  0  0  0
  5  6  1  0  0  0
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  6  7  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1782812

>  <PubChem CID>
52952424

>  <Formula>
C20H28N2O2S

>  <Molecular Weight>
360.516000

>  <IUPAC Name>
1-(1-benzothiophen-3-yl)-3-(4-morpholin-4-ylpiperidin-1-yl)propan-1-ol

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CN(CCC1N2CCOCC2)CCC(C3=CSC4=CC=CC=C43)O

>  <Isomeric SMILES>
C1CN(CCC1N2CCOCC2)CCC(C3=CSC4=CC=CC=C43)O

>  <InChI Std. ID>
InChI=1S/C20H28N2O2S/c23-19(18-15-25-20-4-2-1-3-17(18)20)7-10-21-8-5-16(6-9-21)22-11-13-24-14-12-22/h1-4,15-16,19,23H,5-14H2

>  <InChI Key>
AQFQXNDANGFFNG-UHFFFAOYSA-N

