
 CHEMBL1915264

 55 59  0  0  0  0  0  0  0  0999 V2000
    0.5267    0.5389    1.0398 C   0  0  0  0  0
    1.9761    0.2251    1.0974 C   0  0  0  0  0
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    3.9146   -2.7649   -4.2761 Cl  0  0  0  0  0
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    5.6010    0.6267    1.4737 C   0  0  0  0  0
    5.9137    1.7772    1.7643 O   0  0  0  0  0
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    7.8765   -0.2431    1.3843 N   0  0  0  0  0
    8.4676   -1.0256    2.4847 C   0  0  0  0  0
    8.6164   -2.5177    2.1571 C   0  0  0  0  0
    9.3558   -2.7179    0.9453 O   0  0  0  0  0
    8.7177   -2.0486   -0.1503 C   0  0  0  0  0
    8.5704   -0.5446    0.1189 C   0  0  0  0  0
    0.3369    1.5572    1.3957 H   0  0  0  0  0
   -0.0503   -0.1434    1.6715 H   0  0  0  0  0
    0.1563    0.4682    0.0131 H   0  0  0  0  0
    3.0308    2.0941    1.6192 H   0  0  0  0  0
    0.8433   -2.2356    1.0211 H   0  0  0  0  0
    2.3795   -3.0862    0.8663 H   0  0  0  0  0
    1.1308   -2.6904   -4.9107 H   0  0  0  0  0
    3.7169   -2.4996   -1.4713 H   0  0  0  0  0
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   -4.0039   -1.4129   -3.2587 H   0  0  0  0  0
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   -5.0929   -2.9585    1.3278 H   0  0  0  0  0
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    6.0682   -1.3264    1.0408 H   0  0  0  0  0
    7.8875   -0.8960    3.4060 H   0  0  0  0  0
    9.4640   -0.6112    2.6842 H   0  0  0  0  0
    9.1638   -3.0192    2.9617 H   0  0  0  0  0
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    9.5726   -0.1017    0.1805 H   0  0  0  0  0
    8.0665   -0.0565   -0.7236 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 36  1  0  0  0
  4  5  2  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  8 13  1  0  0  0
  8  9  2  0  0  0
  9 17  1  0  0  0
  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL1915264

>  <PubChem CID>
57393869

>  <Formula>
C24H23ClN4O3

>  <Molecular Weight>
450.923000

>  <IUPAC Name>
1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methyl-N-morpholin-4-ylpyrazole-3-carboxamide

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=NN1CC2=C3C(=CC(=C2)Cl)C=C(O3)C4=CC=CC=C4)C(=O)NN5CCOCC5

>  <Isomeric SMILES>
CC1=CC(=NN1CC2=C3C(=CC(=C2)Cl)C=C(O3)C4=CC=CC=C4)C(=O)NN5CCOCC5

>  <InChI Std. ID>
InChI=1S/C24H23ClN4O3/c1-16-11-21(24(30)27-28-7-9-31-10-8-28)26-29(16)15-19-13-20(25)12-18-14-22(32-23(18)19)17-5-3-2-4-6-17/h2-6,11-14H,7-10,15H2,1H3,(H,27,30)

>  <InChI Key>
BATVBXSSNSBMMX-UHFFFAOYSA-N

