
 CHEMBL219037

 50 54  0  0  0  0  0  0  0  0999 V2000
   -1.2508   -2.7413    0.5277 C   0  0  0  0  0
   -0.0660   -1.8390    0.3326 C   0  0  0  0  0
    1.1809   -2.3838   -0.0019 C   0  0  0  0  0
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    2.1249   -0.1332    0.1144 C   0  0  0  0  0
    0.8968    0.4198    0.4042 C   0  0  0  0  0
   -0.1977   -0.4458    0.5285 C   0  0  0  0  0
    3.4336    0.4137   -0.0870 C   0  0  0  0  0
    4.2773   -0.5780   -0.5109 C   0  0  0  0  0
    3.6789   -1.9363   -0.5662 C   0  0  0  0  0
    5.4865    0.0469   -0.8145 C   0  0  0  0  0
    5.4219    1.3639   -0.5116 N   0  0  0  0  0
    4.1559    1.5746   -0.0141 N   0  0  0  0  0
    3.8246    2.8052    0.6177 C   0  0  0  0  0
    4.3971    4.0328    0.2352 C   0  0  0  0  0
    4.0780    5.2038    0.9396 C   0  0  0  0  0
    3.1989    5.1592    2.0173 C   0  0  0  0  0
    2.6309    3.9531    2.4091 C   0  0  0  0  0
    2.9480    2.7804    1.7183 C   0  0  0  0  0
    2.8166    6.6009    2.8731 Cl  0  0  0  0  0
    5.4218    4.2547   -1.1435 Cl  0  0  0  0  0
    6.6861   -0.5893   -1.3787 C   0  0  0  0  0
    6.6819   -1.7758   -1.6841 O   0  0  0  0  0
    7.7557    0.2813   -1.4711 N   0  0  0  0  0
    9.0558   -0.0111   -1.9184 C   0  0  0  0  0
    9.4028   -1.2062   -2.5521 C   0  0  0  0  0
   10.7258   -1.4558   -2.9318 C   0  0  0  0  0
   11.7302   -0.5133   -2.6816 C   0  0  0  0  0
   11.3755    0.6977   -2.0693 C   0  0  0  0  0
   10.0485    0.9495   -1.7010 C   0  0  0  0  0
   13.1684   -0.7936   -3.0406 C   0  0  0  0  0
   13.6999    0.1588   -3.8561 F   0  0  0  0  0
   13.9761   -0.8392   -1.9445 F   0  0  0  0  0
   13.3506   -1.9801   -3.6855 F   0  0  0  0  0
   -2.1747   -2.2455    0.2132 H   0  0  0  0  0
   -1.3366   -3.0195    1.5827 H   0  0  0  0  0
   -1.1515   -3.6541   -0.0694 H   0  0  0  0  0
    1.2996   -3.4509   -0.1668 H   0  0  0  0  0
    0.7542    1.4870    0.5211 H   0  0  0  0  0
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    3.6769   -2.3487   -1.5778 H   0  0  0  0  0
    4.1328   -2.6162    0.1590 H   0  0  0  0  0
    4.5113    6.1555    0.6395 H   0  0  0  0  0
    1.9570    3.9120    3.2619 H   0  0  0  0  0
    2.5419    1.8469    2.1009 H   0  0  0  0  0
    7.5643    1.2091   -1.0995 H   0  0  0  0  0
    8.6632   -1.9696   -2.7750 H   0  0  0  0  0
   10.9631   -2.4010   -3.4186 H   0  0  0  0  0
   12.1374    1.4487   -1.8649 H   0  0  0  0  0
    9.8098    1.8934   -1.2164 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 38  1  0  0  0
  4 10  1  0  0  0
  4  5  2  0  0  0
  5  8  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 39  1  0  0  0
  7 40  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
 10 41  1  0  0  0
 10 42  1  0  0  0
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 11 22  1  0  0  0
 12 13  1  0  0  0
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 14 19  1  0  0  0
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 22 24  1  0  0  0
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 26 27  1  0  0  0
 26 47  1  0  0  0
 27 28  2  0  0  0
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 28 29  1  0  0  0
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 31 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL219037

>  <PubChem CID>
16094754

>  <Formula>
C25H16Cl2F3N3O

>  <Molecular Weight>
502.318000

>  <IUPAC Name>
1-(2,4-dichlorophenyl)-6-methyl-N-[4-(trifluoromethyl)phenyl]-4H-indeno[1,2-c]pyrazole-3-carboxamide

>  <XlogP>
7.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC2=C(C=C1)C3=C(C2)C(=NN3C4=C(C=C(C=C4)Cl)Cl)C(=O)NC5=CC=C(C=C5)C(F)(F)F

>  <Isomeric SMILES>
CC1=CC2=C(C=C1)C3=C(C2)C(=NN3C4=C(C=C(C=C4)Cl)Cl)C(=O)NC5=CC=C(C=C5)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C25H16Cl2F3N3O/c1-13-2-8-18-14(10-13)11-19-22(24(34)31-17-6-3-15(4-7-17)25(28,29)30)32-33(23(18)19)21-9-5-16(26)12-20(21)27/h2-10,12H,11H2,1H3,(H,31,34)

>  <InChI Key>
FWJSCHBZVXURHJ-UHFFFAOYSA-N

