
 CHEMBL3628098

 37 40  0  0  0  0  0  0  0  0999 V2000
    1.9852    1.2420    0.9000 C   0  0  0  0  0
    1.5361    2.2463    0.0173 C   0  0  0  0  0
    0.2502    2.1966   -0.5324 C   0  0  0  0  0
   -0.5472    1.1256   -0.1794 C   0  0  0  0  0
   -0.0977    0.1305    0.6683 C   0  0  0  0  0
    1.1610    0.1638    1.2367 C   0  0  0  0  0
   -1.1614   -0.8625    0.7924 C   0  0  0  0  0
   -1.1012   -1.7954    1.5695 O   0  0  0  0  0
   -2.1780   -0.4477   -0.0372 N   0  0  0  0  0
   -1.9080    0.7801   -0.5907 C   0  0  0  0  0
   -2.5851    1.4904   -1.3131 O   0  0  0  0  0
   -3.3547   -1.1888   -0.2836 C   0  0  0  0  0
   -3.3139   -2.5359   -0.6753 C   0  0  0  0  0
   -4.4977   -3.2452   -0.9148 C   0  0  0  0  0
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   -6.2555   -5.4537   -1.4803 O   0  0  0  0  0
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  -12.2476   -3.9510   -1.5102 Cl  0  0  0  0  0
   -1.8323   -3.3475   -1.0685 Cl  0  0  0  0  0
    2.9885    1.3041    1.3176 H   0  0  0  0  0
    2.2015    3.0677   -0.2406 H   0  0  0  0  0
   -0.1040    2.9593   -1.2175 H   0  0  0  0  0
    1.4953   -0.6210    1.9076 H   0  0  0  0  0
   -4.4059   -4.2744   -1.2458 H   0  0  0  0  0
   -6.7402   -0.7724   -0.2760 H   0  0  0  0  0
   -4.6774    0.4815    0.1138 H   0  0  0  0  0
   -7.8236   -2.7635   -0.8675 H   0  0  0  0  0
   -8.5468   -7.2029   -1.7132 H   0  0  0  0  0
  -11.2589   -6.8539   -1.8070 H   0  0  0  0  0
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  1  6  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  3 30  1  0  0  0
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  7  8  2  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3628098

>  <PubChem CID>
122193163

>  <Formula>
C19H10Cl2N2O4

>  <Molecular Weight>
401.199000

>  <IUPAC Name>
5-chloro-N-[3-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]furan-2-carboxamide

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C2C(=C1)C(=O)N(C2=O)C3=C(C=C(C=C3)NC(=O)C4=CC=C(O4)Cl)Cl

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C(=O)N(C2=O)C3=C(C=C(C=C3)NC(=O)C4=CC=C(O4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C19H10Cl2N2O4/c20-13-9-10(22-17(24)15-7-8-16(21)27-15)5-6-14(13)23-18(25)11-3-1-2-4-12(11)19(23)26/h1-9H,(H,22,24)

>  <InChI Key>
AWFVJEIOLHTEOU-UHFFFAOYSA-N

