
 CHEMBL3353277

 52 56  0  0  0  0  0  0  0  0999 V2000
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    0.6571   -2.4322   -1.5439 C   0  0  0  0  0
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    4.2177   -3.6368   -0.6060 C   0  0  0  0  0
    4.2126   -3.9000    0.8831 C   0  0  0  0  0
    4.2559   -3.0230    1.9579 C   0  0  0  0  0
    4.2346   -3.5448    3.2574 C   0  0  0  0  0
    4.1556   -4.9304    3.4766 C   0  0  0  0  0
    4.0903   -5.8131    2.3999 C   0  0  0  0  0
    4.1105   -5.2696    1.1274 C   0  0  0  0  0
    4.0615   -5.9625   -0.1602 C   0  0  0  0  0
    4.1619   -7.1651   -0.3054 O   0  0  0  0  0
    3.9788   -4.9892   -1.1419 N   0  0  0  0  0
    4.6249   -5.1623   -2.4166 C   0  0  0  0  0
    5.8798   -4.3232   -2.2357 C   0  0  0  0  0
    5.5456   -3.3383   -1.1959 N   0  0  0  0  0
    6.3239   -2.2719   -0.7859 C   0  0  0  0  0
    5.9777   -1.4735    0.0824 O   0  0  0  0  0
    7.6165   -1.9648   -1.4507 C   0  0  0  0  0
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    8.6073   -2.9181   -1.6997 C   0  0  0  0  0
   10.7350   -3.4543   -2.5579 F   0  0  0  0  0
   11.2066   -0.8329   -3.1779 F   0  0  0  0  0
    9.3071    1.0504   -2.5945 F   0  0  0  0  0
   -0.2019   -0.4282   -2.4375 O   0  0  0  0  0
    0.0465    0.6297   -3.3561 C   0  0  0  0  0
   -1.3393   -2.6675   -2.3343 H   0  0  0  0  0
   -1.2206   -2.7164   -0.5552 H   0  0  0  0  0
   -0.7032   -4.1013   -1.5453 H   0  0  0  0  0
    2.4105    0.3817   -2.3276 H   0  0  0  0  0
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    4.3090   -1.9479    1.8053 H   0  0  0  0  0
    4.2805   -2.8666    4.1073 H   0  0  0  0  0
    4.1423   -5.3134    4.4953 H   0  0  0  0  0
    4.0232   -6.8862    2.5480 H   0  0  0  0  0
    4.8366   -6.2093   -2.6492 H   0  0  0  0  0
    3.9747   -4.7349   -3.1869 H   0  0  0  0  0
    6.2079   -3.8380   -3.1579 H   0  0  0  0  0
    6.6792   -4.9606   -1.8467 H   0  0  0  0  0
    7.1386    0.1545   -1.5152 H   0  0  0  0  0
    8.4949   -3.9564   -1.4102 H   0  0  0  0  0
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    0.6685    0.2958   -4.1942 H   0  0  0  0  0
    0.4955    1.4899   -2.8502 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
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  1 36  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  4  5  2  0  0  0
  4 37  1  0  0  0
  5  6  1  0  0  0
  5 38  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 39  1  0  0  0
  8 20  1  0  0  0
  8  9  1  0  0  0
  8 17  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3353277

>  <PubChem CID>
118719489

>  <Formula>
C25H19F3N2O3

>  <Molecular Weight>
452.433000

>  <IUPAC Name>
9b-(4-methoxy-3-methylphenyl)-1-(3,4,5-trifluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=C(C=CC(=C1)C23C4=CC=CC=C4C(=O)N2CCN3C(=O)C5=CC(=C(C(=C5)F)F)F)OC

>  <Isomeric SMILES>
CC1=C(C=CC(=C1)C23C4=CC=CC=C4C(=O)N2CCN3C(=O)C5=CC(=C(C(=C5)F)F)F)OC

>  <InChI Std. ID>
InChI=1S/C25H19F3N2O3/c1-14-11-16(7-8-21(14)33-2)25-18-6-4-3-5-17(18)24(32)30(25)10-9-29(25)23(31)15-12-19(26)22(28)20(27)13-15/h3-8,11-13H,9-10H2,1-2H3

>  <InChI Key>
LYXGACOPHGGKEX-UHFFFAOYSA-N

