
 CHEMBL2333480

 62 67  0  0  0  0  0  0  0  0999 V2000
    6.9105    7.2898   -9.1421 C   0  0  0  0  0
    7.1591    6.2308   -8.1947 N   0  0  0  0  0
    7.4839    6.3650   -6.8740 C   0  0  0  0  0
    7.6418    5.0854   -6.3729 C   0  0  0  0  0
    7.3786    4.2603   -7.4963 C   0  0  0  0  0
    7.0867    4.9547   -8.6003 N   0  0  0  0  0
    8.0043    4.7472   -4.9993 C   0  0  0  0  0
    8.2557    5.7412   -4.0418 C   0  0  0  0  0
    8.6158    5.3999   -2.7355 C   0  0  0  0  0
    8.7371    4.0706   -2.3327 C   0  0  0  0  0
    8.4748    3.0731   -3.2791 C   0  0  0  0  0
    8.1196    3.4104   -4.5876 C   0  0  0  0  0
    7.8900    2.4013   -5.4395 F   0  0  0  0  0
    9.1256    3.7209   -0.9191 C   0  0  0  0  0
   10.4005    3.0431   -0.8406 N   0  0  0  0  0
   11.6473    3.6719   -0.7680 C   0  0  0  0  0
   11.9360    5.0226   -0.7220 C   0  0  0  0  0
   13.2784    5.4030   -0.6366 C   0  0  0  0  0
   14.2973    4.4367   -0.6061 C   0  0  0  0  0
   13.9900    3.0752   -0.6543 C   0  0  0  0  0
   12.6554    2.7046   -0.7302 C   0  0  0  0  0
   12.0444    1.3271   -0.7766 C   0  0  0  0  0
   10.5339    1.6539   -0.8559 C   0  0  0  0  0
    9.6166    0.8466   -0.9051 O   0  0  0  0  0
   12.3353    0.4774    0.4524 C   0  0  0  0  0
   12.2309   -0.9378   -0.0868 C   0  0  0  0  0
   12.8060   -0.8891   -1.4394 N   0  0  0  0  0
   12.4749    0.4597   -1.9668 C   0  0  0  0  0
   14.2388   -1.2056   -1.4965 C   0  0  0  0  0
   14.5754   -2.6021   -0.9422 C   0  0  0  0  0
   15.8619   -2.9810   -1.6532 C   0  0  0  0  0
   15.5995   -2.5306   -3.0771 C   0  0  0  0  0
   14.7911   -1.2414   -2.9406 C   0  0  0  0  0
    8.8459    6.3866   -1.8576 F   0  0  0  0  0
    6.9640    8.2549   -8.6325 H   0  0  0  0  0
    5.9135    7.1472   -9.5668 H   0  0  0  0  0
    7.6727    7.2369   -9.9239 H   0  0  0  0  0
    7.5732    7.3429   -6.4264 H   0  0  0  0  0
    7.3893    3.1800   -7.5619 H   0  0  0  0  0
    8.1815    6.7969   -4.2814 H   0  0  0  0  0
    8.5397    2.0193   -3.0157 H   0  0  0  0  0
    8.3498    3.0631   -0.5062 H   0  0  0  0  0
    9.1464    4.6042   -0.2716 H   0  0  0  0  0
   11.1609    5.7807   -0.7428 H   0  0  0  0  0
   13.5383    6.4584   -0.5922 H   0  0  0  0  0
   15.3360    4.7542   -0.5418 H   0  0  0  0  0
   14.7818    2.3321   -0.6285 H   0  0  0  0  0
   11.6287    0.6462    1.2722 H   0  0  0  0  0
   13.3465    0.6538    0.8387 H   0  0  0  0  0
   12.6969   -1.6627    0.5858 H   0  0  0  0  0
   11.1775   -1.2318   -0.1704 H   0  0  0  0  0
   13.3159    0.9048   -2.5113 H   0  0  0  0  0
   11.6636    0.3478   -2.6961 H   0  0  0  0  0
   14.8128   -0.4613   -0.9268 H   0  0  0  0  0
   13.7875   -3.3254   -1.1900 H   0  0  0  0  0
   14.7063   -2.6008    0.1445 H   0  0  0  0  0
   16.7111   -2.4342   -1.2284 H   0  0  0  0  0
   16.0727   -4.0521   -1.5884 H   0  0  0  0  0
   16.5222   -2.3862   -3.6469 H   0  0  0  0  0
   14.9990   -3.2850   -3.6009 H   0  0  0  0  0
   15.4310   -0.3676   -3.1119 H   0  0  0  0  0
   14.0046   -1.2165   -3.7033 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  4  2  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 39  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 40  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 14  1  0  0  0
 11 12  2  0  0  0
 11 41  1  0  0  0
 12 13  1  0  0  0
 14 15  1  0  0  0
 14 42  1  0  0  0
 14 43  1  0  0  0
 15 16  1  0  0  0
 15 23  1  0  0  0
 16 21  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
 18 19  2  0  0  0
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 19 20  1  0  0  0
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 20 21  2  0  0  0
 20 47  1  0  0  0
 21 22  1  0  0  0
 22 23  1  0  0  0
 22 28  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 25 26  1  0  0  0
 25 48  1  0  0  0
 25 49  1  0  0  0
 26 27  1  0  0  0
 26 50  1  0  0  0
 26 51  1  0  0  0
 27 28  1  0  0  0
 27 29  1  0  0  0
 28 52  1  0  0  0
 28 53  1  0  0  0
 29 33  1  0  0  0
 29 30  1  0  0  0
 29 54  1  0  0  0
 30 31  1  0  0  0
 30 55  1  0  0  0
 30 56  1  0  0  0
 31 32  1  0  0  0
 31 57  1  0  0  0
 31 58  1  0  0  0
 32 33  1  0  0  0
 32 59  1  0  0  0
 32 60  1  0  0  0
 33 61  1  0  0  0
 33 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2333480

>  <PubChem CID>
71569052

>  <Formula>
C27H28F2N4O

>  <Molecular Weight>
462.545000

>  <IUPAC Name>
1'-cyclopentyl-1-[[2,5-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CN1C=C(C=N1)C2=CC(=C(C=C2F)CN3C4=CC=CC=C4C5(C3=O)CCN(C5)C6CCCC6)F

>  <Isomeric SMILES>
CN1C=C(C=N1)C2=CC(=C(C=C2F)CN3C4=CC=CC=C4C5(C3=O)CCN(C5)C6CCCC6)F

>  <InChI Std. ID>
InChI=1S/C27H28F2N4O/c1-31-15-19(14-30-31)21-13-23(28)18(12-24(21)29)16-33-25-9-5-4-8-22(25)27(26(33)34)10-11-32(17-27)20-6-2-3-7-20/h4-5,8-9,12-15,20H,2-3,6-7,10-11,16-17H2,1H3

>  <InChI Key>
AEHKMNQRAODAJY-UHFFFAOYSA-N

