
 CHEMBL2315046

 52 55  0  0  0  0  0  0  0  0999 V2000
    8.5717   -0.3965    8.5529 C   0  0  0  0  0
    9.5987   -0.7904    7.5280 C   0  0  0  0  0
    8.1529   -0.6439    7.1250 C   0  0  0  0  0
    7.7011    0.5039    6.2823 C   0  0  0  0  0
    7.5582    0.0981    4.9088 N   0  0  0  0  0
    7.0279    0.9526    3.9657 C   0  0  0  0  0
    6.6891    2.1058    4.2107 O   0  0  0  0  0
    6.8730    0.3696    2.5919 C   0  0  0  0  0
    7.2891   -0.9184    2.4125 N   0  0  0  0  0
    7.1388   -1.4422    1.1659 C   0  0  0  0  0
    6.5764   -0.7192    0.1120 C   0  0  0  0  0
    6.1648    0.5926    0.3270 C   0  0  0  0  0
    6.3170    1.1530    1.5881 C   0  0  0  0  0
    7.6526   -2.8443    0.9239 C   0  0  0  0  0
    6.6497   -3.9493    1.1850 C   0  0  0  0  0
    5.7891   -4.4343    0.1793 C   0  0  0  0  0
    4.9295   -5.5038    0.4653 C   0  0  0  0  0
    4.9088   -6.0807    1.7382 C   0  0  0  0  0
    5.7380   -5.5841    2.7368 C   0  0  0  0  0
    6.6000   -4.5244    2.4690 C   0  0  0  0  0
    5.7117   -6.2957    4.3020 Cl  0  0  0  0  0
    5.8665   -3.8069   -1.0380 O   0  0  0  0  0
    5.0308   -4.3037   -2.0829 C   0  0  0  0  0
    5.2338   -3.4523   -3.3075 C   0  0  0  0  0
    6.2072   -3.7931   -4.2512 C   0  0  0  0  0
    6.4085   -3.0297   -5.3963 C   0  0  0  0  0
    5.6262   -1.8986   -5.6027 C   0  0  0  0  0
    4.6571   -1.5278   -4.6697 C   0  0  0  0  0
    4.4646   -2.2993   -3.5203 C   0  0  0  0  0
    5.8529   -0.9498   -7.0194 Cl  0  0  0  0  0
    6.9601   -4.8867   -4.0665 F   0  0  0  0  0
    8.2863   -1.1314    9.2977 H   0  0  0  0  0
    8.5841    0.6232    8.9221 H   0  0  0  0  0
   10.0130   -1.7904    7.5858 H   0  0  0  0  0
   10.3092   -0.0349    7.2116 H   0  0  0  0  0
    7.5685   -1.5401    6.9473 H   0  0  0  0  0
    8.4046    1.3440    6.3190 H   0  0  0  0  0
    6.7298    0.8685    6.6354 H   0  0  0  0  0
    7.8251   -0.8300    4.5951 H   0  0  0  0  0
    6.4750   -1.1649   -0.8734 H   0  0  0  0  0
    5.7364    1.1751   -0.4838 H   0  0  0  0  0
    6.0088    2.1748    1.7857 H   0  0  0  0  0
    8.5306   -3.0022    1.5654 H   0  0  0  0  0
    8.0496   -2.9268   -0.0961 H   0  0  0  0  0
    4.2615   -5.9241   -0.2798 H   0  0  0  0  0
    4.2427   -6.9153    1.9408 H   0  0  0  0  0
    7.2494   -4.1467    3.2574 H   0  0  0  0  0
    3.9742   -4.2500   -1.7906 H   0  0  0  0  0
    5.2799   -5.3473   -2.3128 H   0  0  0  0  0
    7.1673   -3.3282   -6.1120 H   0  0  0  0  0
    4.0478   -0.6419   -4.8335 H   0  0  0  0  0
    3.7076   -2.0005   -2.7975 H   0  0  0  0  0
  1  3  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
  4  5  1  0  0  0
  4 37  1  0  0  0
  4 38  1  0  0  0
  5  6  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
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 28 29  2  0  0  0
 28 51  1  0  0  0
 29 52  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2315046

>  <PubChem CID>
71519327

>  <Formula>
C24H21Cl2FN2O2

>  <Molecular Weight>
459.342000

>  <IUPAC Name>
6-[[5-chloro-2-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methyl]-N-(cyclopropylmethyl)pyridine-2-carboxamide

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CC1CNC(=O)C2=NC(=CC=C2)CC3=C(C=CC(=C3)Cl)OCC4=C(C=C(C=C4)Cl)F

>  <Isomeric SMILES>
C1CC1CNC(=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(31-14-16-6-7-19(26)12-21(16)27)17(10-18)11-20-2-1-3-22(29-20)24(30)28-13-15-4-5-15/h1-3,6-10,12,15H,4-5,11,13-14H2,(H,28,30)

>  <InChI Key>
NSYOWNMYXMUFHH-UHFFFAOYSA-N

