
 MK-0686

 52 54  0  0  0  0  0  0  0  0999 V2000
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    1.5561    0.0369   -1.6873 C   0  0  0  0  0
    2.0211   -1.0238   -2.6803 C   0  0  0  0  0
    1.3302   -1.2739   -3.8740 C   0  0  0  0  0
    1.7355   -2.2607   -4.7780 C   0  0  0  0  0
    2.8955   -3.0139   -4.5619 C   0  0  0  0  0
    3.6348   -2.7140   -3.4041 C   0  0  0  0  0
    3.2084   -1.7454   -2.4809 C   0  0  0  0  0
    3.3049   -4.1193   -5.4657 C   0  0  0  0  0
    3.2943   -4.0524   -6.8819 C   0  0  0  0  0
    3.6513   -5.1640   -7.6632 C   0  0  0  0  0
    4.0351   -6.3585   -7.0507 C   0  0  0  0  0
    4.0636   -6.4492   -5.6640 C   0  0  0  0  0
    3.7011   -5.3462   -4.8880 C   0  0  0  0  0
    3.6583   -5.1259   -9.3926 Cl  0  0  0  0  0
    2.8705   -2.8245   -7.5728 C   0  0  0  0  0
    1.7901   -2.7016   -8.1228 O   0  0  0  0  0
    3.8478   -1.8976   -7.4472 O   0  0  0  0  0
    3.5245   -0.6199   -7.9992 C   0  0  0  0  0
    0.2198   -0.5877   -4.1832 F   0  0  0  0  0
    0.1246    0.2688   -1.7792 N   0  0  0  0  0
   -0.4121    1.5331   -1.8075 C   0  0  0  0  0
    0.2357    2.5514   -1.6156 O   0  0  0  0  0
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   -2.7792    2.4316   -1.2219 C   0  0  0  0  0
   -2.4489    2.9460   -2.5854 C   0  0  0  0  0
   -2.4508    0.4508   -2.8582 N   0  0  0  0  0
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   -3.6965   -0.4570   -1.1461 O   0  0  0  0  0
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   -3.8408   -2.7395   -2.9754 F   0  0  0  0  0
   -5.2413   -1.2041   -3.6550 F   0  0  0  0  0
   -3.2646   -1.3575   -4.5614 F   0  0  0  0  0
    1.4748    0.4899    0.4431 H   0  0  0  0  0
    2.9615   -0.3193   -0.0399 H   0  0  0  0  0
    1.4504   -1.2400    0.0822 H   0  0  0  0  0
    2.0779    0.9640   -1.9548 H   0  0  0  0  0
    1.0991   -2.4292   -5.6422 H   0  0  0  0  0
    4.5631   -3.2445   -3.1932 H   0  0  0  0  0
    3.8305   -1.5751   -1.6064 H   0  0  0  0  0
    4.3096   -7.2237   -7.6494 H   0  0  0  0  0
    4.3563   -7.3795   -5.1832 H   0  0  0  0  0
    3.7092   -5.4651   -3.8045 H   0  0  0  0  0
    4.4598   -0.1173   -8.2613 H   0  0  0  0  0
    3.0063   -0.0220   -7.2435 H   0  0  0  0  0
    2.9144   -0.6955   -8.9056 H   0  0  0  0  0
   -0.4977   -0.5165   -1.9040 H   0  0  0  0  0
   -2.3070    2.9138   -0.3708 H   0  0  0  0  0
   -3.7982    2.1214   -1.0283 H   0  0  0  0  0
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   -1.7596    3.7804   -2.6622 H   0  0  0  0  0
   -2.1516    0.3355   -3.8257 H   0  0  0  0  0
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  1 35  1  0  0  0
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  2 21  1  0  0  0
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  3  8  1  0  0  0
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  4 20  1  0  0  0
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  6  7  1  0  0  0
  6  9  1  0  0  0
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M  END

>  <Chemical Name>
MK-0686

>  <PubChem CID>
16102897

>  <Formula>
C22H19ClF4N2O4

>  <Molecular Weight>
486.848000

>  <IUPAC Name>
methyl 2-chloro-6-[3-fluoro-4-[(1R)-1-[[1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarbonyl]amino]ethyl]phenyl]benzoate

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

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

>  <Isomeric SMILES>
C[C@H](C1=C(C=C(C=C1)C2=C(C(=CC=C2)Cl)C(=O)OC)F)NC(=O)C3(CC3)NC(=O)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1

>  <InChI Key>
WZZIQHIQMWJNLU-LLVKDONJSA-N

