
 CHEMBL2181190

 51 54  0  0  0  0  0  0  0  0999 V2000
    2.4600   -3.7220   -5.5783 C   0  0  0  0  0
    2.0080   -2.3930   -4.9930 C   0  0  0  0  0
    2.8145   -1.9617   -3.7598 C   0  0  0  0  0
    4.2667   -1.8362   -3.9673 N   0  0  0  0  0
    4.6512   -0.8171   -4.9553 C   0  0  0  0  0
    4.4244    0.6213   -4.4819 C   0  0  0  0  0
    5.1047    0.9085   -3.1331 C   0  0  0  0  0
    4.7657   -0.1969   -2.1220 C   0  0  0  0  0
    4.9725   -1.6037   -2.6967 C   0  0  0  0  0
    6.6284    1.0811   -3.2643 C   0  0  0  0  0
    6.9018    2.1864   -4.1302 O   0  0  0  0  0
    8.2505    2.4297   -4.3165 C   0  0  0  0  0
    9.1200    1.7080   -3.5775 N   0  0  0  0  0
   10.4265    1.9261   -3.7331 C   0  0  0  0  0
   11.2897    1.1724   -2.9494 C   0  0  0  0  0
   12.6737    1.3159   -3.0279 C   0  0  0  0  0
   13.2120    2.2334   -3.9141 C   0  0  0  0  0
   12.3612    3.0017   -4.7111 C   0  0  0  0  0
   10.9480    2.8718   -4.6404 C   0  0  0  0  0
   10.0136    3.6343   -5.4199 C   0  0  0  0  0
    8.6264    3.4092   -5.2451 C   0  0  0  0  0
    7.7048    4.1677   -6.0030 C   0  0  0  0  0
    8.1164    5.1281   -6.9205 C   0  0  0  0  0
    9.4693    5.3538   -7.1078 C   0  0  0  0  0
   10.3997    4.6183   -6.3690 C   0  0  0  0  0
    6.3820    3.9871   -5.8625 F   0  0  0  0  0
    1.7994   -4.0123   -6.4019 H   0  0  0  0  0
    2.4270   -4.5145   -4.8238 H   0  0  0  0  0
    3.4788   -3.6611   -5.9727 H   0  0  0  0  0
    0.9559   -2.4853   -4.6963 H   0  0  0  0  0
    2.0368   -1.6192   -5.7674 H   0  0  0  0  0
    2.6390   -2.7193   -2.9844 H   0  0  0  0  0
    2.3813   -1.0299   -3.3792 H   0  0  0  0  0
    4.1343   -0.9779   -5.9073 H   0  0  0  0  0
    5.7133   -0.9551   -5.1959 H   0  0  0  0  0
    4.7776    1.3174   -5.2514 H   0  0  0  0  0
    3.3473    0.8055   -4.3832 H   0  0  0  0  0
    4.7037    1.8609   -2.7614 H   0  0  0  0  0
    5.3719   -0.0815   -1.2153 H   0  0  0  0  0
    3.7226   -0.0809   -1.8035 H   0  0  0  0  0
    6.0439   -1.7796   -2.8561 H   0  0  0  0  0
    4.6704   -2.3517   -1.9533 H   0  0  0  0  0
    7.0881    0.1706   -3.6660 H   0  0  0  0  0
    7.0412    1.2861   -2.2678 H   0  0  0  0  0
   10.8697    0.4501   -2.2525 H   0  0  0  0  0
   13.3203    0.7111   -2.3979 H   0  0  0  0  0
   14.2895    2.3561   -3.9880 H   0  0  0  0  0
   12.8255    3.7102   -5.3909 H   0  0  0  0  0
    7.3740    5.6885   -7.4797 H   0  0  0  0  0
    9.8067    6.0991   -7.8237 H   0  0  0  0  0
   11.4497    4.8333   -6.5527 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  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
  8  9  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 41  1  0  0  0
  9 42  1  0  0  0
 10 11  1  0  0  0
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 10 44  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 21  1  0  0  0
 13 14  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
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 18 48  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL2181190

>  <PubChem CID>
71462781

>  <Formula>
C22H25FN2O

>  <Molecular Weight>
352.453000

>  <IUPAC Name>
7-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=CC=CC=C3C4=C2C(=CC=C4)F

>  <Isomeric SMILES>
CCCN1CCC(CC1)COC2=NC3=CC=CC=C3C4=C2C(=CC=C4)F

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

>  <InChI Key>
ADONYAJEPBCRAQ-UHFFFAOYSA-N

