
 CHEMBL3951085

 54 57  0  0  0  0  0  0  0  0999 V2000
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    2.8988   -2.7923    1.7780 N   0  0  0  0  0
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    1.7532   -6.0459    1.6051 C   0  0  0  0  0
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    3.3704   -6.7031   -6.2980 F   0  0  0  0  0
    5.7036   -4.0299    1.3490 H   0  0  0  0  0
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    6.4376   -4.0696    2.9581 H   0  0  0  0  0
    4.2822    1.3563    3.2703 H   0  0  0  0  0
    6.5278    0.5021    3.7963 H   0  0  0  0  0
    7.0993   -1.8547    3.3746 H   0  0  0  0  0
    1.9063   -0.1979    1.1564 H   0  0  0  0  0
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  1  2  1  0  0  0
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  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 38  1  0  0  0
  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>
CHEMBL3951085

>  <PubChem CID>
89799853

>  <Formula>
C23H20F6N2O3

>  <Molecular Weight>
486.414000

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

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=C(C(=CC=C1)C)N2CC3(C(C2=O)CCO3)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([C@@H](C2=O)CCO3)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)18(12)31-11-21(17(19(31)32)6-7-34-21)20(33)30-16-9-14(22(24,25)26)8-15(10-16)23(27,28)29/h3-5,8-10,17H,6-7,11H2,1-2H3,(H,30,33)/t17-,21+/m1/s1

>  <InChI Key>
DDCTYOKTPKBHMP-UTKZUKDTSA-N

