
 CHEMBL1644208

 54 56  0  0  0  0  0  0  0  0999 V2000
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   -1.9983   -5.6683   -4.2438 C   0  0  0  0  0
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    1.1343   -1.5253   -1.8914 F   0  0  0  0  0
    0.9714   -1.5759   -4.7847 C   0  0  0  0  0
    1.3045   -0.2798   -4.4367 C   0  0  0  0  0
    1.9759    0.4903   -5.3699 C   0  0  0  0  0
    2.2941    0.0077   -6.5751 N   0  0  0  0  0
    1.9289   -1.2494   -6.8409 C   0  0  0  0  0
    1.2720   -2.0641   -6.0056 N   0  0  0  0  0
    2.2829   -1.6972   -8.0957 O   0  0  0  0  0
    1.9602   -3.0646   -8.3090 C   0  0  0  0  0
    2.4021    1.7697   -4.9769 N   0  0  0  0  0
    3.0924    2.5666   -5.9953 C   0  0  0  0  0
    4.0134    3.5945   -5.3213 C   0  0  0  0  0
    3.2873    4.6505   -4.5134 C   0  0  0  0  0
    2.7991    5.8414   -5.0754 C   0  0  0  0  0
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    1.9700    6.5488   -2.9221 C   0  0  0  0  0
    2.4316    5.3689   -2.3474 C   0  0  0  0  0
    3.0881    4.4255   -3.1387 C   0  0  0  0  0
    1.1699    7.7166   -1.9445 Cl  0  0  0  0  0
    2.9760    6.1942   -6.7571 Cl  0  0  0  0  0
   -1.0961   -6.8902   -4.4523 C   0  0  0  0  0
   -1.1826   -7.9683   -3.8845 O   0  0  0  0  0
   -0.1091   -6.6940   -5.3524 O   0  0  0  0  0
   -2.8585   -6.5477   -2.4028 H   0  0  0  0  0
   -3.8153   -6.8370   -3.8383 H   0  0  0  0  0
   -3.8216   -5.2293   -3.0943 H   0  0  0  0  0
   -3.2580   -6.1002   -5.9875 H   0  0  0  0  0
   -1.8724   -5.1114   -6.3846 H   0  0  0  0  0
   -3.2422   -4.3893   -5.5241 H   0  0  0  0  0
   -0.5768   -3.6432   -5.4986 H   0  0  0  0  0
   -0.1225   -3.3237   -0.5892 H   0  0  0  0  0
   -1.4650   -5.1354   -1.5408 H   0  0  0  0  0
    1.0722    0.1297   -3.4626 H   0  0  0  0  0
    2.3086   -3.3381   -9.3096 H   0  0  0  0  0
    0.8769   -3.2262   -8.2795 H   0  0  0  0  0
    2.4739   -3.7148   -7.5916 H   0  0  0  0  0
    1.6275    2.2817   -4.5620 H   0  0  0  0  0
    2.3554    3.0580   -6.6412 H   0  0  0  0  0
    3.7344    1.9421   -6.6281 H   0  0  0  0  0
    4.6414    4.0763   -6.0800 H   0  0  0  0  0
    4.7212    3.0699   -4.6648 H   0  0  0  0  0
    1.7845    7.7145   -4.7215 H   0  0  0  0  0
    2.2892    5.1773   -1.2870 H   0  0  0  0  0
    3.4472    3.5054   -2.6785 H   0  0  0  0  0
    0.3996   -7.5314   -5.3347 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2 30  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  3 38  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 40  1  0  0  0
  9 41  1  0  0  0
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 11 12  2  0  0  0
 12 13  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1644208

>  <PubChem CID>
53316574

>  <Formula>
C23H22Cl2FN3O3

>  <Molecular Weight>
478.345000

>  <IUPAC Name>
2-[3-[6-[2-(2,4-dichlorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]-4-fluorophenyl]-2-methylpropanoic acid

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C)(C1=CC(=C(C=C1)F)C2=CC(=NC(=N2)OC)NCCC3=C(C=C(C=C3)Cl)Cl)C(=O)O

>  <Isomeric SMILES>
CC(C)(C1=CC(=C(C=C1)F)C2=CC(=NC(=N2)OC)NCCC3=C(C=C(C=C3)Cl)Cl)C(=O)O

>  <InChI Std. ID>
InChI=1S/C23H22Cl2FN3O3/c1-23(2,21(30)31)14-5-7-18(26)16(10-14)19-12-20(29-22(28-19)32-3)27-9-8-13-4-6-15(24)11-17(13)25/h4-7,10-12H,8-9H2,1-3H3,(H,30,31)(H,27,28,29)

>  <InChI Key>
AWZWXWUFDXJWRX-UHFFFAOYSA-N

