
 CHEMBL1257376

 62 66  0  0  0  0  0  0  0  0999 V2000
    1.6873    1.7557   -4.6631 C   0  0  0  0  0
    2.5144    3.0540   -4.6110 C   0  0  0  0  0
    2.0536    3.9244   -5.7949 C   0  0  0  0  0
    2.3661    3.7455   -3.3025 N   0  0  0  0  0
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    3.1087    4.9910   -0.7247 C   0  0  0  0  0
    2.5543    3.5717   -0.8349 C   0  0  0  0  0
    2.8569    2.9183   -2.1822 C   0  0  0  0  0
    4.5342    4.9173   -0.5692 O   0  0  0  0  0
    5.1771    5.9340    0.0916 C   0  0  0  0  0
    6.5681    5.7813    0.1844 C   0  0  0  0  0
    7.3490    6.7589    0.8369 C   0  0  0  0  0
    6.7094    7.8701    1.3913 C   0  0  0  0  0
    5.3234    8.0448    1.3075 C   0  0  0  0  0
    4.5741    7.0625    0.6471 C   0  0  0  0  0
    7.6899    8.6473    1.9537 N   0  0  0  0  0
    7.5292    9.9303    2.6107 C   0  0  0  0  0
    8.6428   10.1232    3.6335 C   0  0  0  0  0
    9.9675    9.8046    3.0993 N   0  0  0  0  0
   10.1572    8.6982    2.2665 C   0  0  0  0  0
   11.2705    8.2874    1.9540 O   0  0  0  0  0
    8.9338    8.0869    1.7870 C   0  0  0  0  0
    8.7437    6.9119    1.0840 C   0  0  0  0  0
   11.1252   10.4697    3.6817 C   0  0  0  0  0
   11.3614   11.8289    3.0629 C   0  0  0  0  0
   11.7429   11.9304    1.7138 C   0  0  0  0  0
   11.9823   13.1780    1.1368 C   0  0  0  0  0
   11.8429   14.3255    1.9066 C   0  0  0  0  0
   11.4663   14.2490    3.2425 C   0  0  0  0  0
   11.2245   13.0017    3.8224 C   0  0  0  0  0
   12.0780   15.5234    1.3555 F   0  0  0  0  0
    2.0937    0.9818   -4.0059 H   0  0  0  0  0
    1.6880    1.3298   -5.6732 H   0  0  0  0  0
    0.6440    1.9378   -4.3809 H   0  0  0  0  0
    3.5685    2.7953   -4.7756 H   0  0  0  0  0
    1.0490    4.3281   -5.6251 H   0  0  0  0  0
    2.0245    3.3418   -6.7228 H   0  0  0  0  0
    2.7382    4.7578   -5.9786 H   0  0  0  0  0
    2.7266    5.6961   -4.0766 H   0  0  0  0  0
    4.1465    4.9143   -3.3787 H   0  0  0  0  0
    3.2898    6.7519   -1.9847 H   0  0  0  0  0
    1.6769    6.0376   -1.9461 H   0  0  0  0  0
    2.6461    5.4221    0.1695 H   0  0  0  0  0
    2.9692    2.9450   -0.0364 H   0  0  0  0  0
    1.4659    3.6016   -0.6940 H   0  0  0  0  0
    3.9329    2.7246   -2.2799 H   0  0  0  0  0
    2.3543    1.9466   -2.1631 H   0  0  0  0  0
    7.0468    4.9093   -0.2532 H   0  0  0  0  0
    4.8306    8.9131    1.7317 H   0  0  0  0  0
    3.5042    7.2301    0.5850 H   0  0  0  0  0
    7.5767   10.6918    1.8244 H   0  0  0  0  0
    6.5497    9.9678    3.0962 H   0  0  0  0  0
    8.6314   11.1584    3.9909 H   0  0  0  0  0
    8.4845    9.4651    4.4971 H   0  0  0  0  0
    9.5328    6.2348    0.7797 H   0  0  0  0  0
   12.0323    9.8681    3.5525 H   0  0  0  0  0
   10.9617   10.5512    4.7629 H   0  0  0  0  0
   11.8624   11.0309    1.1110 H   0  0  0  0  0
   12.2816   13.2588    0.0967 H   0  0  0  0  0
   11.3699   15.1608    3.8235 H   0  0  0  0  0
   10.9380   12.9526    4.8704 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 36  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  3 39  1  0  0  0
  4  9  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  5 41  1  0  0  0
  6  7  1  0  0  0
  6 42  1  0  0  0
  6 43  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  7 44  1  0  0  0
  8  9  1  0  0  0
  8 45  1  0  0  0
  8 46  1  0  0  0
  9 47  1  0  0  0
  9 48  1  0  0  0
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 11 12  2  0  0  0
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 31 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1257376

>  <PubChem CID>
16678616

>  <Formula>
C26H30FN3O2

>  <Molecular Weight>
435.543000

>  <IUPAC Name>
2-[(4-fluorophenyl)methyl]-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)N1CCC(CC1)OC2=CC3=C(C=C2)N4CCN(C(=O)C4=C3)CC5=CC=C(C=C5)F

>  <Isomeric SMILES>
CC(C)N1CCC(CC1)OC2=CC3=C(C=C2)N4CCN(C(=O)C4=C3)CC5=CC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C26H30FN3O2/c1-18(2)28-11-9-22(10-12-28)32-23-7-8-24-20(15-23)16-25-26(31)29(13-14-30(24)25)17-19-3-5-21(27)6-4-19/h3-8,15-16,18,22H,9-14,17H2,1-2H3

>  <InChI Key>
AQACZABFCRPMGE-UHFFFAOYSA-N

