
 CHEMBL2315047

 52 55  0  0  0  0  0  0  0  0999 V2000
   -1.3527   -6.0947    0.7867 C   0  0  0  0  0
   -1.9386   -6.3346    2.1701 C   0  0  0  0  0
   -2.2320   -4.9247    2.6592 C   0  0  0  0  0
   -1.2088   -4.1017    2.0397 N   0  0  0  0  0
   -0.5280   -4.8274    0.9776 C   0  0  0  0  0
   -1.0011   -2.7949    2.4647 C   0  0  0  0  0
   -1.7166   -2.2996    3.3389 O   0  0  0  0  0
    0.0930   -1.9418    1.8734 C   0  0  0  0  0
    0.9815   -2.5019    1.0145 N   0  0  0  0  0
    1.9398   -1.7084    0.4681 C   0  0  0  0  0
    2.0665   -0.3629    0.8063 C   0  0  0  0  0
    1.1651    0.1944    1.7066 C   0  0  0  0  0
    0.1606   -0.6022    2.2458 C   0  0  0  0  0
    2.9470   -2.3402   -0.4752 C   0  0  0  0  0
    2.3870   -3.4612   -1.3293 C   0  0  0  0  0
    1.6592   -3.1930   -2.5049 C   0  0  0  0  0
    1.1078   -4.2548   -3.2304 C   0  0  0  0  0
    1.2667   -5.5729   -2.7900 C   0  0  0  0  0
    1.9807   -5.8354   -1.6262 C   0  0  0  0  0
    2.5415   -4.7911   -0.8979 C   0  0  0  0  0
    2.1497   -7.4542   -1.0712 Cl  0  0  0  0  0
    1.5697   -1.8732   -2.8576 O   0  0  0  0  0
    0.6490   -1.5201   -3.8860 C   0  0  0  0  0
    0.8189   -0.0514   -4.1687 C   0  0  0  0  0
    1.8751    0.3800   -4.9786 C   0  0  0  0  0
    2.0797    1.7272   -5.2534 C   0  0  0  0  0
    1.2134    2.6671   -4.7072 C   0  0  0  0  0
    0.1555    2.2653   -3.8902 C   0  0  0  0  0
   -0.0393    0.9080   -3.6151 C   0  0  0  0  0
    1.4491    4.3385   -5.0395 Cl  0  0  0  0  0
    2.7117   -0.5198   -5.5153 F   0  0  0  0  0
   -0.7570   -6.9355    0.4220 H   0  0  0  0  0
   -2.1607   -5.9106    0.0684 H   0  0  0  0  0
   -1.1875   -6.8083    2.8134 H   0  0  0  0  0
   -2.8282   -6.9699    2.1541 H   0  0  0  0  0
   -3.2066   -4.5734    2.3024 H   0  0  0  0  0
   -2.2008   -4.8405    3.7496 H   0  0  0  0  0
   -0.4891   -4.2382    0.0586 H   0  0  0  0  0
    0.4814   -5.0679    1.3261 H   0  0  0  0  0
    2.8560    0.2479    0.3788 H   0  0  0  0  0
    1.2439    1.2406    1.9889 H   0  0  0  0  0
   -0.5544   -0.1844    2.9479 H   0  0  0  0  0
    3.7847   -2.7155    0.1266 H   0  0  0  0  0
    3.3790   -1.5758   -1.1342 H   0  0  0  0  0
    0.5512   -4.0991   -4.1481 H   0  0  0  0  0
    0.8287   -6.3875   -3.3609 H   0  0  0  0  0
    3.0749   -5.0027    0.0262 H   0  0  0  0  0
   -0.3765   -1.7269   -3.5550 H   0  0  0  0  0
    0.8408   -2.0731   -4.8129 H   0  0  0  0  0
    2.9088    2.0235   -5.8871 H   0  0  0  0  0
   -0.5186    3.0040   -3.4629 H   0  0  0  0  0
   -0.8609    0.6071   -2.9679 H   0  0  0  0  0
  1  5  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 34  1  0  0  0
  2 35  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 38  1  0  0  0
  5 39  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 12 13  2  0  0  0
 12 41  1  0  0  0
 13 42  1  0  0  0
 14 15  1  0  0  0
 14 43  1  0  0  0
 14 44  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 22  1  0  0  0
 17 18  2  0  0  0
 17 45  1  0  0  0
 18 19  1  0  0  0
 18 46  1  0  0  0
 19 20  2  0  0  0
 19 21  1  0  0  0
 20 47  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 23 48  1  0  0  0
 23 49  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 31  1  0  0  0
 26 27  2  0  0  0
 26 50  1  0  0  0
 27 28  1  0  0  0
 27 30  1  0  0  0
 28 29  2  0  0  0
 28 51  1  0  0  0
 29 52  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2315047

>  <PubChem CID>
71519328

>  <Formula>
C24H21Cl2FN2O2

>  <Molecular Weight>
459.342000

>  <IUPAC Name>
[6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]pyridin-2-yl]-pyrrolidin-1-ylmethanone

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CCN(C1)C(=O)C2=NC(=CC=C2)CC3=C(C=CC(=C3)Cl)OCC4=C(C=C(C=C4)Cl)F

>  <Isomeric SMILES>
C1CCN(C1)C(=O)C2=NC(=CC=C2)CC3=C(C=CC(=C3)Cl)OCC4=C(C=C(C=C4)Cl)F

>  <InChI Std. ID>
InChI=1S/C24H21Cl2FN2O2/c25-18-8-9-23(31-15-16-6-7-19(26)14-21(16)27)17(12-18)13-20-4-3-5-22(28-20)24(30)29-10-1-2-11-29/h3-9,12,14H,1-2,10-11,13,15H2

>  <InChI Key>
ZDUFQAJHKGKMQW-UHFFFAOYSA-N

