
 CHEMBL2181185

 51 54  0  0  0  0  0  0  0  0999 V2000
    0.6676   -2.4401   -5.3565 C   0  0  0  0  0
    2.1531   -2.2597   -5.6395 C   0  0  0  0  0
    2.9376   -2.0467   -4.3386 C   0  0  0  0  0
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    5.2068    0.7212   -3.4369 C   0  0  0  0  0
    4.8734   -0.4716   -2.5268 C   0  0  0  0  0
    5.0829   -1.8258   -3.2180 C   0  0  0  0  0
    6.7274    0.9415   -3.5123 C   0  0  0  0  0
    6.9892    2.1114   -4.2945 O   0  0  0  0  0
    8.3318    2.4478   -4.3523 C   0  0  0  0  0
    9.2024    1.6912   -3.6536 N   0  0  0  0  0
   10.4931    2.0222   -3.6801 C   0  0  0  0  0
   10.9961    3.1240   -4.4122 C   0  0  0  0  0
   12.3930    3.3752   -4.3479 C   0  0  0  0  0
   13.2441    2.5684   -3.5936 C   0  0  0  0  0
   12.7130    1.5005   -2.8956 C   0  0  0  0  0
   11.3545    1.2305   -2.9404 C   0  0  0  0  0
   13.5195    0.7197   -2.1663 F   0  0  0  0  0
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    8.6894    3.5613   -5.1239 C   0  0  0  0  0
    0.1121   -2.5338   -6.2941 H   0  0  0  0  0
    0.2667   -1.5803   -4.8100 H   0  0  0  0  0
    0.4879   -3.3399   -4.7612 H   0  0  0  0  0
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    2.5321   -3.1402   -6.1711 H   0  0  0  0  0
    2.7359   -2.9082   -3.6884 H   0  0  0  0  0
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    4.3624   -0.9394   -6.3908 H   0  0  0  0  0
    5.9017   -0.9703   -5.6025 H   0  0  0  0  0
    4.9387    1.2987   -5.5259 H   0  0  0  0  0
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    6.1567   -1.9935   -3.3732 H   0  0  0  0  0
    4.7623   -2.6338   -2.5483 H   0  0  0  0  0
    7.2249    0.0747   -3.9625 H   0  0  0  0  0
    7.1038    1.0870   -2.4912 H   0  0  0  0  0
   12.8385    4.2071   -4.8853 H   0  0  0  0  0
   14.3098    2.7691   -3.5473 H   0  0  0  0  0
   10.9647    0.3852   -2.3807 H   0  0  0  0  0
   11.4498    5.3602   -6.0238 H   0  0  0  0  0
    9.7833    6.6385   -7.2492 H   0  0  0  0  0
    7.3879    6.0013   -7.1548 H   0  0  0  0  0
    6.6885    4.0594   -5.8173 H   0  0  0  0  0
  1  2  1  0  0  0
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  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  6 37  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  7 38  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2181185

>  <PubChem CID>
71461048

>  <Formula>
C22H25FN2O

>  <Molecular Weight>
352.453000

>  <IUPAC Name>
3-fluoro-6-[(1-propylpiperidin-4-yl)methoxy]phenanthridine

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCN1CCC(CC1)COC2=NC3=C(C=CC(=C3)F)C4=CC=CC=C42

>  <Isomeric SMILES>
CCCN1CCC(CC1)COC2=NC3=C(C=CC(=C3)F)C4=CC=CC=C42

>  <InChI Std. ID>
InChI=1S/C22H25FN2O/c1-2-11-25-12-9-16(10-13-25)15-26-22-20-6-4-3-5-18(20)19-8-7-17(23)14-21(19)24-22/h3-8,14,16H,2,9-13,15H2,1H3

>  <InChI Key>
DBUWXKOGBDPUGP-UHFFFAOYSA-N

