
 CHEMBL3957545

 54 57  0  0  0  0  0  0  0  0999 V2000
    6.1943   -4.3406    2.9487 C   0  0  0  0  0
    6.1898   -2.8395    2.8522 C   0  0  0  0  0
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    3.8662   -2.8447    2.1932 N   0  0  0  0  0
    3.4843   -3.1067    0.8322 C   0  0  0  0  0
    2.2998   -4.0628    0.9505 C   0  0  0  0  0
    2.6926   -5.5374    1.0795 C   0  0  0  0  0
    2.2469   -5.9266    2.4755 C   0  0  0  0  0
    1.2483   -4.9651    2.8382 O   0  0  0  0  0
    1.6790   -3.7146    2.2998 C   0  0  0  0  0
    2.8079   -3.0244    3.0809 C   0  0  0  0  0
    2.7713   -2.7441    4.2676 O   0  0  0  0  0
    1.3235   -3.8517   -0.2015 C   0  0  0  0  0
    1.6725   -3.2188   -1.1929 O   0  0  0  0  0
    0.0953   -4.4739   -0.0423 N   0  0  0  0  0
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   -5.5964   -4.9457   -1.1428 F   0  0  0  0  0
   -4.9075   -6.9094   -1.7735 F   0  0  0  0  0
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    5.7173   -4.6581    3.8810 H   0  0  0  0  0
    7.2155   -4.7357    2.9298 H   0  0  0  0  0
    5.6715   -4.7935    2.1018 H   0  0  0  0  0
    6.2856    1.0484    2.7563 H   0  0  0  0  0
    8.2981   -0.2149    3.3926 H   0  0  0  0  0
    8.2573   -2.6760    3.4745 H   0  0  0  0  0
    3.6493    0.0192    1.0144 H   0  0  0  0  0
    4.0033    1.1753    2.3006 H   0  0  0  0  0
    2.9609   -0.1964    2.6510 H   0  0  0  0  0
    4.3223   -3.5361    0.2732 H   0  0  0  0  0
    3.2049   -2.1545    0.3687 H   0  0  0  0  0
    2.1708   -6.1614    0.3440 H   0  0  0  0  0
    3.7607   -5.7282    0.9373 H   0  0  0  0  0
    1.8272   -6.9350    2.5191 H   0  0  0  0  0
    3.0760   -5.8643    3.1900 H   0  0  0  0  0
    0.8298   -3.0256    2.2415 H   0  0  0  0  0
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    0.0987   -3.6587   -2.6782 H   0  0  0  0  0
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  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
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  6  7  2  0  0  0
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  7 40  1  0  0  0
  8 41  1  0  0  0
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  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3957545

>  <PubChem CID>
88954741

>  <Formula>
C23H20F6N2O3

>  <Molecular Weight>
486.414000

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

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)N2CC3(CCOC3C2=O)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

>  <Isomeric SMILES>
CC1=C(C(=CC=C1)C)N2C[C@@]3(CCO[C@@H]3C2=O)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C23H20F6N2O3/c1-12-4-3-5-13(2)17(12)31-11-21(6-7-34-18(21)19(31)32)20(33)30-16-9-14(22(24,25)26)8-15(10-16)23(27,28)29/h3-5,8-10,18H,6-7,11H2,1-2H3,(H,30,33)/t18-,21-/m1/s1

>  <InChI Key>
KAZXVVJFETXMIN-WIYYLYMNSA-N

