
 CHEMBL3986622

 56 59  0  0  0  0  0  0  0  0999 V2000
    2.2512    0.5806    0.5879 C   0  0  0  0  0
    3.5052    0.4387    1.4080 C   0  0  0  0  0
    3.7928   -0.7379    2.1332 C   0  0  0  0  0
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    5.2769   -2.0315    3.7626 C   0  0  0  0  0
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    3.0716   -2.8048    0.9686 C   0  0  0  0  0
    1.9556   -3.8323    1.1822 C   0  0  0  0  0
    2.4652   -5.2706    1.3788 C   0  0  0  0  0
    2.6945   -5.3717    2.8711 C   0  0  0  0  0
    1.5287   -4.6423    3.4898 C   0  0  0  0  0
    1.3150   -3.4585    2.5514 C   0  0  0  0  0
    2.0392   -2.2188    3.0157 C   0  0  0  0  0
    1.8330   -1.6711    4.0873 O   0  0  0  0  0
    3.8578   -4.7641    3.1901 F   0  0  0  0  0
    2.7735   -6.6492    3.2771 F   0  0  0  0  0
    0.9429   -3.7717    0.0365 C   0  0  0  0  0
   -0.2020   -3.3857    0.2375 O   0  0  0  0  0
    1.4409   -4.1781   -1.1943 N   0  0  0  0  0
    0.7275   -4.2315   -2.4171 C   0  0  0  0  0
    1.4367   -4.6115   -3.5645 C   0  0  0  0  0
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   -3.5253   -4.4944   -3.1199 F   0  0  0  0  0
   -3.0301   -2.3964   -3.4223 F   0  0  0  0  0
   -3.2549   -3.7187   -5.1318 F   0  0  0  0  0
    1.5735   -5.0748   -6.0628 C   0  0  0  0  0
    1.0817   -6.2072   -6.6345 F   0  0  0  0  0
    1.5307   -4.1155   -7.0270 F   0  0  0  0  0
    2.8936   -5.3140   -5.8298 F   0  0  0  0  0
    1.3695    0.5068    1.2329 H   0  0  0  0  0
    2.2008   -0.1872   -0.1886 H   0  0  0  0  0
    2.2107    1.5512    0.0821 H   0  0  0  0  0
    6.6618    0.2848    3.6798 H   0  0  0  0  0
    6.1662    2.3280    2.4025 H   0  0  0  0  0
    4.1632    2.4580    0.9774 H   0  0  0  0  0
    5.4742   -2.8737    3.0934 H   0  0  0  0  0
    4.4717   -2.2883    4.4562 H   0  0  0  0  0
    6.1795   -1.8768    4.3640 H   0  0  0  0  0
    4.0663   -3.2560    1.0584 H   0  0  0  0  0
    3.0178   -2.3035   -0.0026 H   0  0  0  0  0
    1.7185   -6.0110    1.0663 H   0  0  0  0  0
    3.3830   -5.4713    0.8164 H   0  0  0  0  0
    0.6423   -5.2871    3.4933 H   0  0  0  0  0
    1.7384   -4.3426    4.5209 H   0  0  0  0  0
    0.2517   -3.2035    2.5032 H   0  0  0  0  0
    2.4147   -4.4514   -1.2456 H   0  0  0  0  0
    2.4962   -4.8556   -3.4971 H   0  0  0  0  0
   -1.0525   -4.4140   -5.8905 H   0  0  0  0  0
   -1.2303   -3.6408   -1.6811 H   0  0  0  0  0
  1  2  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  1 39  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 40  1  0  0  0
  6  7  2  0  0  0
  6 41  1  0  0  0
  7 42  1  0  0  0
  8 43  1  0  0  0
  8 44  1  0  0  0
  8 45  1  0  0  0
  9 16  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 46  1  0  0  0
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 11 15  1  0  0  0
 11 12  1  0  0  0
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 13 14  1  0  0  0
 13 19  1  0  0  0
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 33 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3986622

>  <PubChem CID>
88954713

>  <Formula>
C24H20F8N2O2

>  <Molecular Weight>
520.423000

>  <IUPAC Name>
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2,6-dimethylphenyl)-5,5-difluoro-3-oxo-1,3a,4,6-tetrahydrocyclopenta[c]pyrrole-6a-carboxamide

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
10

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)N2CC3(CC(CC3C2=O)(F)F)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)N2CC3(CC(CC3C2=O)(F)F)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C24H20F8N2O2/c1-12-4-3-5-13(2)18(12)34-11-21(10-22(25,26)9-17(21)19(34)35)20(36)33-16-7-14(23(27,28)29)6-15(8-16)24(30,31)32/h3-8,17H,9-11H2,1-2H3,(H,33,36)

>  <InChI Key>
DUFXQATXWTUIFT-UHFFFAOYSA-N

