
 CHEMBL3628115

 39 42  0  0  0  0  0  0  0  0999 V2000
    0.0865    0.6347    1.8739 C   0  0  0  0  0
    1.4681    0.6210    1.3286 C   0  0  0  0  0
    2.2585    1.7252    1.0383 C   0  0  0  0  0
    3.4526    1.3166    0.5054 O   0  0  0  0  0
    3.4396   -0.0403    0.4939 C   0  0  0  0  0
    2.2462   -0.5167    0.9804 C   0  0  0  0  0
    1.9990    3.1447    1.2030 C   0  0  0  0  0
    1.0833    3.5539    1.9072 O   0  0  0  0  0
    2.8353    3.9499    0.4451 N   0  0  0  0  0
    2.7623    5.3505    0.3066 C   0  0  0  0  0
    1.9971    6.1716    1.1362 C   0  0  0  0  0
    1.9280    7.5537    0.9160 C   0  0  0  0  0
    2.6283    8.1431   -0.1499 C   0  0  0  0  0
    3.3848    7.3120   -0.9888 C   0  0  0  0  0
    3.4726    5.9349   -0.7453 C   0  0  0  0  0
    2.5692    9.5303   -0.4141 N   0  0  0  0  0
    2.7883   10.5080    0.5310 C   0  0  0  0  0
    3.1810   10.4340    1.6803 O   0  0  0  0  0
    2.5835   11.7861   -0.1418 C   0  0  0  0  0
    2.3288   11.5169   -1.4665 C   0  0  0  0  0
    2.3703   10.0766   -1.6598 C   0  0  0  0  0
    2.2262    9.5515   -2.7480 O   0  0  0  0  0
    2.0880   12.5458   -2.3313 C   0  0  0  0  0
    2.1124   13.8324   -1.9018 N   0  0  0  0  0
    2.3854   14.0660   -0.5840 C   0  0  0  0  0
    2.6317   13.0722    0.3481 C   0  0  0  0  0
    0.7987    8.4364    1.8930 Cl  0  0  0  0  0
   -0.5356    1.3566    1.3336 H   0  0  0  0  0
    0.0941    0.9072    2.9336 H   0  0  0  0  0
   -0.3866   -0.3473    1.7744 H   0  0  0  0  0
    4.3338   -0.5156    0.1152 H   0  0  0  0  0
    1.9652   -1.5572    1.0706 H   0  0  0  0  0
    3.4795    3.4464   -0.1547 H   0  0  0  0  0
    1.4257    5.7617    1.9633 H   0  0  0  0  0
    3.9355    7.7274   -1.8309 H   0  0  0  0  0
    4.0787    5.3270   -1.4134 H   0  0  0  0  0
    1.8653   12.3879   -3.3808 H   0  0  0  0  0
    2.3983   15.1158   -0.2992 H   0  0  0  0  0
    2.8480   13.2878    1.3866 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6 32  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 12 13  2  0  0  0
 12 27  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 35  1  0  0  0
 15 36  1  0  0  0
 16 21  1  0  0  0
 16 17  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  2  0  0  0
 19 26  1  0  0  0
 20 23  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 23 24  2  0  0  0
 23 37  1  0  0  0
 24 25  1  0  0  0
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 25 38  1  0  0  0
 26 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3628115

>  <PubChem CID>
122193179

>  <Formula>
C19H12ClN3O4

>  <Molecular Weight>
381.772000

>  <IUPAC Name>
N-[3-chloro-4-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]-3-methylfuran-2-carboxamide

>  <XlogP>
2.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(OC=C1)C(=O)NC2=CC(=C(C=C2)N3C(=O)C4=C(C3=O)C=NC=C4)Cl

>  <Isomeric SMILES>
CC1=C(OC=C1)C(=O)NC2=CC(=C(C=C2)N3C(=O)C4=C(C3=O)C=NC=C4)Cl

>  <InChI Std. ID>
InChI=1S/C19H12ClN3O4/c1-10-5-7-27-16(10)17(24)22-11-2-3-15(14(20)8-11)23-18(25)12-4-6-21-9-13(12)19(23)26/h2-9H,1H3,(H,22,24)

>  <InChI Key>
CVGSBYQJDYXQRK-UHFFFAOYSA-N

