
 CHEMBL386858

 47 51  0  0  0  0  0  0  0  0999 V2000
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    1.3687    0.8406    1.1665 C   0  0  0  0  0
    0.0994    0.2748    0.9966 C   0  0  0  0  0
    3.8587    0.3946    0.6681 C   0  0  0  0  0
    4.5153   -0.6921    0.1579 C   0  0  0  0  0
    3.6340   -1.7929   -0.3123 C   0  0  0  0  0
    5.8785   -0.4160    0.2900 C   0  0  0  0  0
    6.0553    0.7491    0.9595 N   0  0  0  0  0
    4.7996    1.3309    0.9816 N   0  0  0  0  0
    4.6654    2.7016    1.3122 C   0  0  0  0  0
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    4.3332    7.0204    2.6070 Cl  0  0  0  0  0
    2.8532    3.1491   -0.7371 Cl  0  0  0  0  0
    6.9787   -1.2563   -0.1944 C   0  0  0  0  0
    6.8202   -2.0095   -1.1481 O   0  0  0  0  0
    8.1315   -1.1722    0.5657 N   0  0  0  0  0
    9.3161   -1.8936    0.2999 C   0  0  0  0  0
   10.1401   -2.3101    1.3583 C   0  0  0  0  0
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    9.7047   -2.1866   -1.0136 C   0  0  0  0  0
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    9.7088   -1.9906    3.0028 Cl  0  0  0  0  0
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    2.9173    5.5553    0.6321 H   0  0  0  0  0
    6.1172    4.9530    3.4334 H   0  0  0  0  0
    6.3060    2.6000    2.7380 H   0  0  0  0  0
    8.0195   -0.7521    1.4844 H   0  0  0  0  0
   11.9122   -3.4051    1.9345 H   0  0  0  0  0
   11.1701   -3.1053   -2.2931 H   0  0  0  0  0
    9.1180   -1.8413   -1.8622 H   0  0  0  0  0
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  1 33  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL386858

>  <PubChem CID>
16094756

>  <Formula>
C24H15Cl4N3O

>  <Molecular Weight>
503.204000

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

>  <XlogP>
7.600

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C24H15Cl4N3O/c1-12-2-5-16-13(8-12)9-17-22(24(32)29-20-6-3-14(25)10-18(20)27)30-31(23(16)17)21-7-4-15(26)11-19(21)28/h2-8,10-11H,9H2,1H3,(H,29,32)

>  <InChI Key>
FOGDFLUWUCHZBH-UHFFFAOYSA-N

