
 CHEMBL2315049

 54 56  0  0  0  0  0  0  0  0999 V2000
   -1.7084    1.4385    0.8251 C   0  0  0  0  0
   -0.3021    0.8367    0.7760 C   0  0  0  0  0
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    2.0985    1.4678    0.6900 N   0  0  0  0  0
    2.9471    1.8174    1.7181 C   0  0  0  0  0
    2.6088    2.4920    2.6864 O   0  0  0  0  0
    4.3599    1.3354    1.5642 C   0  0  0  0  0
    4.6339    0.5439    0.4836 N   0  0  0  0  0
    5.9234    0.1357    0.3213 C   0  0  0  0  0
    6.9308    0.5194    1.2114 C   0  0  0  0  0
    6.6184    1.3199    2.3073 C   0  0  0  0  0
    5.3096    1.7367    2.4924 C   0  0  0  0  0
    6.1940   -0.7493   -0.8841 C   0  0  0  0  0
    7.5785   -1.3694   -0.9771 C   0  0  0  0  0
    8.6224   -0.7532   -1.6981 C   0  0  0  0  0
    9.9018   -1.3248   -1.6799 C   0  0  0  0  0
   10.1501   -2.4957   -0.9579 C   0  0  0  0  0
    9.1199   -3.1081   -0.2545 C   0  0  0  0  0
    7.8417   -2.5547   -0.2607 C   0  0  0  0  0
    9.4319   -4.5410    0.6416 Cl  0  0  0  0  0
    8.2972    0.3974   -2.3712 O   0  0  0  0  0
    9.3479    1.0541   -3.0790 C   0  0  0  0  0
    8.8007    2.2735   -3.7715 C   0  0  0  0  0
    8.8184    3.5165   -3.1317 C   0  0  0  0  0
    8.3543    4.6658   -3.7630 C   0  0  0  0  0
    7.8554    4.5733   -5.0580 C   0  0  0  0  0
    7.8074    3.3421   -5.7119 C   0  0  0  0  0
    8.2724    2.1921   -5.0681 C   0  0  0  0  0
    7.3004    5.9890   -5.8631 Cl  0  0  0  0  0
    9.3144    3.6195   -1.8904 F   0  0  0  0  0
   -1.8003    2.1478    1.6546 H   0  0  0  0  0
   -2.4633    0.6578    0.9699 H   0  0  0  0  0
   -1.9462    1.9704   -0.1029 H   0  0  0  0  0
   -0.1147    0.3260    1.7287 H   0  0  0  0  0
   -0.3615    0.2655   -1.3277 H   0  0  0  0  0
   -0.9962   -0.9658   -0.2235 H   0  0  0  0  0
    0.7467   -0.7095   -0.3458 H   0  0  0  0  0
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    2.5125    0.9306   -0.0674 H   0  0  0  0  0
    7.9616    0.2073    1.0745 H   0  0  0  0  0
    7.3941    1.6200    3.0059 H   0  0  0  0  0
    5.0386    2.3701    3.3307 H   0  0  0  0  0
    5.9760   -0.1753   -1.7922 H   0  0  0  0  0
    5.4583   -1.5652   -0.8736 H   0  0  0  0  0
   10.7397   -0.8832   -2.2095 H   0  0  0  0  0
   11.1518   -2.9193   -0.9479 H   0  0  0  0  0
    7.0476   -3.0342    0.3089 H   0  0  0  0  0
    9.7737    0.3850   -3.8377 H   0  0  0  0  0
   10.1469    1.3537   -2.3892 H   0  0  0  0  0
    8.3944    5.6164   -3.2413 H   0  0  0  0  0
    7.4134    3.2722   -6.7227 H   0  0  0  0  0
    8.2292    1.2361   -5.5862 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  4  5  1  0  0  0
  4 39  1  0  0  0
  4 40  1  0  0  0
  5  6  1  0  0  0
  5 41  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
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 12 13  2  0  0  0
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 14 15  1  0  0  0
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 15 16  2  0  0  0
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 16 22  1  0  0  0
 17 18  2  0  0  0
 17 47  1  0  0  0
 18 19  1  0  0  0
 18 48  1  0  0  0
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 19 21  1  0  0  0
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 22 23  1  0  0  0
 23 24  1  0  0  0
 23 50  1  0  0  0
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 24 25  2  0  0  0
 24 29  1  0  0  0
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 29 54  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2315049

>  <PubChem CID>
71519330

>  <Formula>
C24H23Cl2FN2O2

>  <Molecular Weight>
461.358000

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

>  <XlogP>
6.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)CNC(=O)C1=NC(=CC=C1)CC2=C(C=CC(=C2)Cl)OCC3=C(C=C(C=C3)Cl)F

>  <Isomeric SMILES>
CC(C)CNC(=O)C1=NC(=CC=C1)CC2=C(C=CC(=C2)Cl)OCC3=C(C=C(C=C3)Cl)F

>  <InChI Std. ID>
InChI=1S/C24H23Cl2FN2O2/c1-15(2)13-28-24(30)22-5-3-4-20(29-22)11-17-10-18(25)8-9-23(17)31-14-16-6-7-19(26)12-21(16)27/h3-10,12,15H,11,13-14H2,1-2H3,(H,28,30)

>  <InChI Key>
SIDBKCIQXCEIJS-UHFFFAOYSA-N

