
 CHEMBL3759867

 39 42  0  0  0  0  0  0  0  0999 V2000
    0.8249    0.0268    1.9181 C   0  0  0  0  0
    2.1600    0.3643    1.3923 C   0  0  0  0  0
    2.8002    1.5384    1.0508 C   0  0  0  0  0
    4.0551    1.2447    0.5313 N   0  0  0  0  0
    4.1254   -0.0645    0.6300 C   0  0  0  0  0
    3.0162   -0.6705    1.1333 O   0  0  0  0  0
    2.2670    2.8927    1.1633 C   0  0  0  0  0
    1.2441    3.1340    1.7927 O   0  0  0  0  0
    3.0239    3.7980    0.4441 N   0  0  0  0  0
    2.7811    5.1720    0.2732 C   0  0  0  0  0
    1.8647    5.8972    1.0348 C   0  0  0  0  0
    1.6623    7.2650    0.7996 C   0  0  0  0  0
    2.3719    7.9308   -0.2157 C   0  0  0  0  0
    3.2707    7.1866   -0.9934 C   0  0  0  0  0
    3.4926    5.8296   -0.7331 C   0  0  0  0  0
    2.2021    9.3111   -0.4815 N   0  0  0  0  0
    2.2803   10.2891    0.4787 C   0  0  0  0  0
    2.5771   10.2290    1.6595 O   0  0  0  0  0
    2.0750   11.5595   -0.2072 C   0  0  0  0  0
    1.9644   11.3045   -1.5630 C   0  0  0  0  0
    2.1116    9.8573   -1.7419 C   0  0  0  0  0
    2.1383    9.3038   -2.8262 O   0  0  0  0  0
    1.7598   12.3357   -2.4580 C   0  0  0  0  0
    1.6847   13.6406   -1.9502 C   0  0  0  0  0
    1.8194   13.8904   -0.5707 C   0  0  0  0  0
    2.0191   12.8371    0.3215 C   0  0  0  0  0
    1.5837   12.0907   -4.1476 Cl  0  0  0  0  0
    0.3823    8.0218    1.6920 Cl  0  0  0  0  0
    0.0566    0.6568    1.4586 H   0  0  0  0  0
    0.7901    0.1732    3.0013 H   0  0  0  0  0
    0.5689   -1.0152    1.7020 H   0  0  0  0  0
    4.9466   -0.7133    0.3586 H   0  0  0  0  0
    3.7870    3.3777   -0.0807 H   0  0  0  0  0
    1.2865    5.4202    1.8205 H   0  0  0  0  0
    3.8339    7.6576   -1.7969 H   0  0  0  0  0
    4.2096    5.2925   -1.3504 H   0  0  0  0  0
    1.5219   14.4793   -2.6256 H   0  0  0  0  0
    1.7661   14.9128   -0.2000 H   0  0  0  0  0
    2.1279   13.0072    1.3889 H   0  0  0  0  0
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  1 30  1  0  0  0
  1 31  1  0  0  0
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  2  6  1  0  0  0
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  3  7  1  0  0  0
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  5 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
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 11 12  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3759867

>  <PubChem CID>
127025550

>  <Formula>
C19H11Cl2N3O4

>  <Molecular Weight>
416.214000

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

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(N=CO1)C(=O)NC2=CC(=C(C=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)Cl)Cl

>  <Isomeric SMILES>
CC1=C(N=CO1)C(=O)NC2=CC(=C(C=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C19H11Cl2N3O4/c1-9-16(22-8-28-9)17(25)23-10-5-6-14(13(21)7-10)24-18(26)11-3-2-4-12(20)15(11)19(24)27/h2-8H,1H3,(H,23,25)

>  <InChI Key>
BQFUPYCDLGZOSL-UHFFFAOYSA-N

