
 CHEMBL1830047

 55 59  0  0  0  0  0  0  0  0999 V2000
    1.7844    0.7344   -0.8154 C   0  0  0  0  0
    0.8359   -0.0216    0.1570 C   0  0  0  0  0
   -0.0670    1.2312   -0.0141 C   0  0  0  0  0
    1.1079    2.0047   -0.4760 N   0  0  0  0  0
    0.8072    2.7690   -1.6913 C   0  0  0  0  0
    0.1439    4.1041   -1.3655 C   0  0  0  0  0
   -0.1158    4.7600   -2.5311 F   0  0  0  0  0
    1.4103   -0.2527    1.5552 C   0  0  0  0  0
    1.8687    0.7061    2.4279 C   0  0  0  0  0
    2.3015    0.0638    3.5561 N   0  0  0  0  0
    2.1292   -1.2972    3.4269 C   0  0  0  0  0
    1.5698   -1.5242    2.1710 C   0  0  0  0  0
    1.3067   -2.8504    1.7964 C   0  0  0  0  0
    1.6016   -3.8937    2.6909 C   0  0  0  0  0
    2.1674   -3.6697    3.9567 C   0  0  0  0  0
    2.4354   -2.3360    4.3257 C   0  0  0  0  0
    2.4337   -4.7694    4.8729 N   0  0  0  0  0
    2.5033   -4.5632    6.2552 C   0  0  0  0  0
    2.6844   -5.5625    7.1285 C   0  0  0  0  0
    2.7864   -6.9224    6.6761 C   0  0  0  0  0
    2.7625   -7.1715    5.3603 C   0  0  0  0  0
    2.6308   -6.0734    4.3651 C   0  0  0  0  0
    2.7266   -6.4115    3.1855 O   0  0  0  0  0
    2.8816   -7.8459    7.6962 O   0  0  0  0  0
    2.8930   -9.2204    7.2940 C   0  0  0  0  0
    2.9530  -10.1667    8.4700 C   0  0  0  0  0
    3.6246  -11.3923    8.3278 C   0  0  0  0  0
    3.6299  -12.3279    9.3626 C   0  0  0  0  0
    2.9555  -12.0541   10.5494 C   0  0  0  0  0
    2.2768  -10.8456   10.7012 C   0  0  0  0  0
    2.2705   -9.9076    9.6655 C   0  0  0  0  0
    2.8509    0.7104   -0.5672 H   0  0  0  0  0
    1.6778    0.4018   -1.8572 H   0  0  0  0  0
    0.4285   -0.9380   -0.2850 H   0  0  0  0  0
   -0.8644    1.0809   -0.7544 H   0  0  0  0  0
   -0.5337    1.6198    0.8973 H   0  0  0  0  0
    0.1831    2.2145   -2.4045 H   0  0  0  0  0
    1.7429    2.9864   -2.2222 H   0  0  0  0  0
    0.7988    4.7399   -0.7615 H   0  0  0  0  0
   -0.8062    3.9707   -0.8401 H   0  0  0  0  0
    1.9273    1.7836    2.3439 H   0  0  0  0  0
    2.6928    0.5192    4.3685 H   0  0  0  0  0
    0.8731   -3.0829    0.8282 H   0  0  0  0  0
    1.3332   -4.8931    2.3589 H   0  0  0  0  0
    2.9094   -2.0840    5.2661 H   0  0  0  0  0
    2.3679   -3.5576    6.6332 H   0  0  0  0  0
    2.7252   -5.3686    8.1964 H   0  0  0  0  0
    2.8374   -8.1575    4.9241 H   0  0  0  0  0
    3.7719   -9.3925    6.6601 H   0  0  0  0  0
    1.9785   -9.4525    6.7335 H   0  0  0  0  0
    4.1433  -11.6308    7.4014 H   0  0  0  0  0
    4.1529  -13.2723    9.2377 H   0  0  0  0  0
    2.9537  -12.7851   11.3536 H   0  0  0  0  0
    1.7442  -10.6370   11.6253 H   0  0  0  0  0
    1.7226   -8.9766    9.7946 H   0  0  0  0  0
  1  4  1  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  2  8  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  6 40  1  0  0  0
  8 12  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 41  1  0  0  0
 10 11  1  0  0  0
 10 42  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 43  1  0  0  0
 14 15  1  0  0  0
 14 44  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 16 45  1  0  0  0
 17 18  1  0  0  0
 17 22  1  0  0  0
 18 19  2  0  0  0
 18 46  1  0  0  0
 19 20  1  0  0  0
 19 47  1  0  0  0
 20 21  2  0  0  0
 20 24  1  0  0  0
 21 22  1  0  0  0
 21 48  1  0  0  0
 22 23  2  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 49  1  0  0  0
 25 50  1  0  0  0
 26 27  2  0  0  0
 26 31  1  0  0  0
 27 28  1  0  0  0
 27 51  1  0  0  0
 28 29  2  0  0  0
 28 52  1  0  0  0
 29 30  1  0  0  0
 29 53  1  0  0  0
 30 31  2  0  0  0
 30 54  1  0  0  0
 31 55  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1830047

>  <PubChem CID>
56673836

>  <Formula>
C25H24FN3O2

>  <Molecular Weight>
417.484000

>  <IUPAC Name>
1-[3-[1-(2-fluoroethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1C(CN1CCF)C2=CNC3=C2C=CC(=C3)N4C=CC(=CC4=O)OCC5=CC=CC=C5

>  <Isomeric SMILES>
C1C(CN1CCF)C2=CNC3=C2C=CC(=C3)N4C=CC(=CC4=O)OCC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C25H24FN3O2/c26-9-11-28-15-19(16-28)23-14-27-24-12-20(6-7-22(23)24)29-10-8-21(13-25(29)30)31-17-18-4-2-1-3-5-18/h1-8,10,12-14,19,27H,9,11,15-17H2

>  <InChI Key>
HSSYJLUDDDEVOO-UHFFFAOYSA-N

