
 CHEMBL3951983

 44 47  0  0  0  0  0  0  0  0999 V2000
   -0.2203    0.7969    2.5312 C   0  0  0  0  0
   -0.8645   -0.2300    1.6187 C   0  0  0  0  0
    0.1536   -0.4700    0.5425 C   0  0  0  0  0
   -0.0016   -1.2451   -0.3887 O   0  0  0  0  0
    1.2462    0.3080    0.7857 N   0  0  0  0  0
    1.1049    1.0892    1.8937 C   0  0  0  0  0
    1.9039    1.9063    2.3231 O   0  0  0  0  0
    2.4253    0.3273   -0.0565 C   0  0  0  0  0
    3.4762   -0.6473    0.4111 C   0  0  0  0  0
    4.6717   -0.2063    0.9623 C   0  0  0  0  0
    5.6475   -1.1086    1.3783 C   0  0  0  0  0
    5.4647   -2.5061    1.2389 C   0  0  0  0  0
    6.4341   -3.4940    1.5923 C   0  0  0  0  0
    6.0808   -4.8445    1.4552 C   0  0  0  0  0
    4.8250   -5.1655    0.9768 C   0  0  0  0  0
    3.9044   -4.2473    0.5938 N   0  0  0  0  0
    4.2257   -2.9566    0.7177 C   0  0  0  0  0
    3.2750   -2.0313    0.3070 C   0  0  0  0  0
    4.4118   -6.6000    0.8702 C   0  0  0  0  0
    5.1433   -7.5251    1.1979 O   0  0  0  0  0
    3.1470   -6.8094    0.3913 N   0  0  0  0  0
    7.8021   -3.1793    2.0700 C   0  0  0  0  0
    8.6615   -2.3385    1.3370 C   0  0  0  0  0
    9.9630   -2.0757    1.7751 C   0  0  0  0  0
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    8.3084   -3.7699    3.2451 C   0  0  0  0  0
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    2.8260    1.3475   -0.0760 H   0  0  0  0  0
    2.1407    0.0746   -1.0852 H   0  0  0  0  0
    6.5515   -0.6956    1.8170 H   0  0  0  0  0
    6.7763   -5.6404    1.7091 H   0  0  0  0  0
    2.3441   -2.4083   -0.1172 H   0  0  0  0  0
    2.5686   -6.0154    0.1392 H   0  0  0  0  0
    2.7932   -7.7505    0.3037 H   0  0  0  0  0
    8.3270   -1.8845    0.4059 H   0  0  0  0  0
   10.6163   -1.4174    1.2111 H   0  0  0  0  0
   10.0044   -3.9970    4.5700 H   0  0  0  0  0
    7.6866   -4.4397    3.8371 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3951983

>  <PubChem CID>
89554883

>  <Formula>
C21H15F2N3O3

>  <Molecular Weight>
395.366000

>  <IUPAC Name>
7-[(2,5-dioxopyrrolidin-1-yl)methyl]-6-fluoro-4-(4-fluorophenyl)quinoline-2-carboxamide

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC(=O)N(C1=O)CC2=C(C=C3C(=CC(=NC3=C2)C(=O)N)C4=CC=C(C=C4)F)F

>  <Isomeric SMILES>
C1CC(=O)N(C1=O)CC2=C(C=C3C(=CC(=NC3=C2)C(=O)N)C4=CC=C(C=C4)F)F

>  <InChI Std. ID>
InChI=1S/C21H15F2N3O3/c22-13-3-1-11(2-4-13)14-9-18(21(24)29)25-17-7-12(16(23)8-15(14)17)10-26-19(27)5-6-20(26)28/h1-4,7-9H,5-6,10H2,(H2,24,29)

>  <InChI Key>
AGFXVEKKLZNIOD-UHFFFAOYSA-N

