
 CHEMBL435619

 56 59  0  0  0  0  0  0  0  0999 V2000
    0.8611    1.2146    0.0332 C   0  0  0  0  0
   -0.5803    1.2093    0.5377 C   0  0  0  0  0
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    6.7350   -2.5254    0.6156 C   0  0  0  0  0
    1.8408   -0.0897    1.8003 O   0  0  0  0  0
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    0.8540    1.3637   -1.0546 H   0  0  0  0  0
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   -0.7544   -1.3181    1.5142 H   0  0  0  0  0
   -1.2359   -2.0489   -0.0141 H   0  0  0  0  0
    1.1871   -2.2185    0.3879 H   0  0  0  0  0
    0.7803   -1.4012   -1.1277 H   0  0  0  0  0
    3.5501    0.8092    0.0341 H   0  0  0  0  0
    2.8437    0.0533   -1.4076 H   0  0  0  0  0
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    8.0520   -5.6105    0.0553 H   0  0  0  0  0
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    1.0382   -0.3825    2.2577 H   0  0  0  0  0
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  1  6  1  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  5 36  1  0  0  0
  6 16  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
  9 41  1  0  0  0
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 27 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL435619

>  <PubChem CID>
10407490

>  <Formula>
C23H28FN3O

>  <Molecular Weight>
381.495000

>  <IUPAC Name>
4-[(benzylamino)methyl]-1-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidin-4-ol

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1(CNCC2=CC=CC=C2)O)CCC3=CNC4=C3C=C(C=C4)F

>  <Isomeric SMILES>
C1CN(CCC1(CNCC2=CC=CC=C2)O)CCC3=CNC4=C3C=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C23H28FN3O/c24-20-6-7-22-21(14-20)19(16-26-22)8-11-27-12-9-23(28,10-13-27)17-25-15-18-4-2-1-3-5-18/h1-7,14,16,25-26,28H,8-13,15,17H2

>  <InChI Key>
HSZOPHZEDKYUMI-UHFFFAOYSA-N

