
 CHEMBL3357575

 42 45  0  0  0  0  0  0  0  0999 V2000
    0.4879   -0.8465   -1.5371 C   0  0  0  0  0
    1.5843   -0.4976   -0.5801 C   0  0  0  0  0
    1.7258    0.8094   -0.0808 C   0  0  0  0  0
    2.7751    1.1503    0.7968 C   0  0  0  0  0
    3.7154    0.1966    1.1870 C   0  0  0  0  0
    3.5671   -1.0804    0.6805 C   0  0  0  0  0
    2.5268   -1.4298   -0.1640 C   0  0  0  0  0
    2.6883   -2.8557   -0.4807 C   0  0  0  0  0
    1.8947   -3.4894   -1.1539 O   0  0  0  0  0
    3.8678   -3.2547    0.1028 N   0  0  0  0  0
    4.3973   -2.2610    0.8911 C   0  0  0  0  0
    5.3028   -2.2874    1.7086 O   0  0  0  0  0
    4.4237   -4.5505   -0.0138 C   0  0  0  0  0
    5.7869   -4.7532   -0.2875 C   0  0  0  0  0
    6.3151   -6.0482   -0.3654 C   0  0  0  0  0
    5.5029   -7.1666   -0.1777 C   0  0  0  0  0
    4.1391   -6.9717    0.0589 C   0  0  0  0  0
    3.6013   -5.6780    0.1266 C   0  0  0  0  0
    5.9818   -8.4903   -0.2304 N   0  0  0  0  0
    7.2951   -8.9024   -0.3818 C   0  0  0  0  0
    8.2820   -8.1851   -0.5031 O   0  0  0  0  0
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    6.5060  -12.4794   -0.3478 C   0  0  0  0  0
    6.3312  -11.1385   -0.3504 N   0  0  0  0  0
    6.8508   -3.4565   -0.7326 Cl  0  0  0  0  0
   -0.1545    0.0172   -1.7394 H   0  0  0  0  0
   -0.1437   -1.6393   -1.1252 H   0  0  0  0  0
    0.9103   -1.1740   -2.4927 H   0  0  0  0  0
    1.0198    1.5858   -0.3748 H   0  0  0  0  0
    2.8564    2.1713    1.1661 H   0  0  0  0  0
    4.5355    0.4436    1.8539 H   0  0  0  0  0
    7.3681   -6.1524   -0.6056 H   0  0  0  0  0
    3.4743   -7.8204    0.2035 H   0  0  0  0  0
    2.5373   -5.5666    0.3273 H   0  0  0  0  0
    5.3146   -9.2517   -0.1235 H   0  0  0  0  0
    9.6272  -10.2807   -0.3810 H   0  0  0  0  0
    9.8777  -12.7615   -0.3509 H   0  0  0  0  0
    7.8231  -14.1846   -0.3408 H   0  0  0  0  0
    5.5923  -13.0682   -0.3463 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  4  5  2  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
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 11 12  2  0  0  0
 13 14  2  0  0  0
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 14 15  1  0  0  0
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 15 16  2  0  0  0
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 20 22  1  0  0  0
 20 21  2  0  0  0
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 23 24  1  0  0  0
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 24 25  2  0  0  0
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 26 27  2  0  0  0
 26 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3357575

>  <PubChem CID>
45110136

>  <Formula>
C21H14ClN3O3

>  <Molecular Weight>
391.811000

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

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=CC2=C1C(=O)N(C2=O)C3=C(C=C(C=C3)NC(=O)C4=CC=CC=N4)Cl

>  <Isomeric SMILES>
CC1=CC=CC2=C1C(=O)N(C2=O)C3=C(C=C(C=C3)NC(=O)C4=CC=CC=N4)Cl

>  <InChI Std. ID>
InChI=1S/C21H14ClN3O3/c1-12-5-4-6-14-18(12)21(28)25(20(14)27)17-9-8-13(11-15(17)22)24-19(26)16-7-2-3-10-23-16/h2-11H,1H3,(H,24,26)

>  <InChI Key>
ANBBLLOZDHXSOE-UHFFFAOYSA-N

