
 CHEMBL3355943

 55 58  0  0  0  0  0  0  0  0999 V2000
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   -3.5704    2.8442    0.4944 C   0  0  0  0  0
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    3.2235    5.8930   -1.8063 S   0  0  0  0  0
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    4.7958    7.4578   -0.2084 C   0  0  0  0  0
    7.8835    7.0461    1.6521 F   0  0  0  0  0
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    0.1980    3.6952    0.0968 H   0  0  0  0  0
   -0.5114    0.3667   -1.4282 H   0  0  0  0  0
    1.1619   -0.1669   -1.2332 H   0  0  0  0  0
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    0.9824   -0.1619    1.1763 H   0  0  0  0  0
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    5.5097    4.1892   -0.8725 H   0  0  0  0  0
    7.4282    4.7279    0.5769 H   0  0  0  0  0
    6.0280    8.7504    1.0132 H   0  0  0  0  0
    4.0754    8.2410   -0.4273 H   0  0  0  0  0
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  5  6  1  0  0  0
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  5 36  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3355943

>  <PubChem CID>
118721193

>  <Formula>
C23H27FN2OS

>  <Molecular Weight>
398.540000

>  <IUPAC Name>
[3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1H-indol-2-yl]methanol

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1C2=C(NC3=CC=CC=C32)CO)CCCSC4=CC=C(C=C4)F

>  <Isomeric SMILES>
C1CN(CCC1C2=C(NC3=CC=CC=C32)CO)CCCSC4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C23H27FN2OS/c24-18-6-8-19(9-7-18)28-15-3-12-26-13-10-17(11-14-26)23-20-4-1-2-5-21(20)25-22(23)16-27/h1-2,4-9,17,25,27H,3,10-16H2

>  <InChI Key>
IVMJBDLZRRUJCW-UHFFFAOYSA-N

