
 CHEMBL385268

 47 51  0  0  0  0  0  0  0  0999 V2000
    0.4834   -1.5848    0.3723 C   0  0  0  0  0
    1.8875   -1.0523    0.3472 C   0  0  0  0  0
    2.9620   -1.9359    0.1734 C   0  0  0  0  0
    4.2504   -1.4215    0.1735 C   0  0  0  0  0
    4.4738   -0.0252    0.3280 C   0  0  0  0  0
    3.4315    0.8449    0.5629 C   0  0  0  0  0
    2.1321    0.3221    0.5656 C   0  0  0  0  0
    5.8954    0.1325    0.2663 C   0  0  0  0  0
    6.4863   -1.0966    0.1641 C   0  0  0  0  0
    5.5437   -2.2412    0.0575 C   0  0  0  0  0
    7.8603   -0.8730    0.2537 C   0  0  0  0  0
    8.1144    0.4544    0.3485 N   0  0  0  0  0
    6.8870    1.0740    0.2938 N   0  0  0  0  0
    6.7880    2.4805    0.1148 C   0  0  0  0  0
    7.7237    3.3805    0.6551 C   0  0  0  0  0
    7.6026    4.7538    0.3936 C   0  0  0  0  0
    6.5652    5.2302   -0.4029 C   0  0  0  0  0
    5.6383    4.3501   -0.9486 C   0  0  0  0  0
    5.7512    2.9810   -0.6958 C   0  0  0  0  0
    6.4290    6.9154   -0.7178 Cl  0  0  0  0  0
    8.9948    2.9370    1.7436 Cl  0  0  0  0  0
    8.9151   -1.9018    0.2680 C   0  0  0  0  0
    8.6300   -3.0899    0.1678 O   0  0  0  0  0
   10.1795   -1.3618    0.3978 N   0  0  0  0  0
   11.4042   -2.0508    0.4816 C   0  0  0  0  0
   11.5104   -3.4434    0.5159 C   0  0  0  0  0
   12.7634   -4.0594    0.6061 C   0  0  0  0  0
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   13.8260   -1.8985    0.6277 C   0  0  0  0  0
   12.5725   -1.2836    0.5426 C   0  0  0  0  0
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    0.3629   -2.3865   -0.3642 H   0  0  0  0  0
    2.7942   -3.0020    0.0495 H   0  0  0  0  0
    3.5896    1.8977    0.7616 H   0  0  0  0  0
    1.2963    0.9949    0.7488 H   0  0  0  0  0
    5.6073   -2.7407   -0.9122 H   0  0  0  0  0
    5.6432   -2.9392    0.8922 H   0  0  0  0  0
    8.3157    5.4549    0.8218 H   0  0  0  0  0
    4.8367    4.7172   -1.5855 H   0  0  0  0  0
    5.0482    2.3160   -1.1933 H   0  0  0  0  0
   10.1934   -0.3456    0.4350 H   0  0  0  0  0
   10.6374   -4.0861    0.4830 H   0  0  0  0  0
   12.8278   -5.1441    0.6359 H   0  0  0  0  0
   14.8920   -3.7694    0.7284 H   0  0  0  0  0
   14.7263   -1.2933    0.6688 H   0  0  0  0  0
   12.5247   -0.1972    0.5196 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  7  1  0  0  0
  2  3  2  0  0  0
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  3 34  1  0  0  0
  4 10  1  0  0  0
  4  5  2  0  0  0
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  5  6  1  0  0  0
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  6 35  1  0  0  0
  7 36  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL385268

>  <PubChem CID>
16094752

>  <Formula>
C24H17Cl2N3O

>  <Molecular Weight>
434.320000

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

>  <XlogP>
6.300

>  <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=CC=CC=C5

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

>  <InChI Std. ID>
InChI=1S/C24H17Cl2N3O/c1-14-7-9-18-15(11-14)12-19-22(24(30)27-17-5-3-2-4-6-17)28-29(23(18)19)21-10-8-16(25)13-20(21)26/h2-11,13H,12H2,1H3,(H,27,30)

>  <InChI Key>
CSLWBVUNYDJLBD-UHFFFAOYSA-N

