
 CHEMBL1271637

 41 43  0  0  0  0  0  0  0  0999 V2000
   -1.8051    0.1726   -2.2915 C   0  0  0  0  0
   -2.9744   -0.2875   -1.6970 C   0  0  0  0  0
   -2.9249   -0.8464   -0.4226 C   0  0  0  0  0
   -1.7059   -0.9473    0.2597 C   0  0  0  0  0
   -0.5073   -0.5068   -0.3318 C   0  0  0  0  0
   -0.5861    0.0677   -1.6156 C   0  0  0  0  0
    0.8131   -0.5561    0.4168 C   0  0  0  0  0
    1.9885   -0.7989   -0.4235 N   0  0  0  0  0
    2.7797    0.2610   -0.8331 C   0  0  0  0  0
    3.8658    0.0626   -1.5886 C   0  0  0  0  0
    4.2427   -1.2709   -1.9921 C   0  0  0  0  0
    3.5222   -2.3372   -1.6159 C   0  0  0  0  0
    2.2973   -2.1168   -0.7530 C   0  0  0  0  0
    1.6513   -3.1024   -0.3906 O   0  0  0  0  0
    3.7730   -3.6605   -1.9173 N   0  0  0  0  0
    4.7170   -4.2027   -2.7689 C   0  0  0  0  0
    5.4864   -3.5447   -3.4580 O   0  0  0  0  0
    4.6543   -5.5873   -2.7241 N   0  0  0  0  0
    5.3496   -6.5181   -3.5190 C   0  0  0  0  0
    6.1742   -6.1731   -4.5904 C   0  0  0  0  0
    6.8085   -7.1676   -5.3462 C   0  0  0  0  0
    6.6163   -8.5112   -5.0301 C   0  0  0  0  0
    5.7972   -8.8691   -3.9657 C   0  0  0  0  0
    5.1650   -7.8753   -3.2128 C   0  0  0  0  0
    7.3910   -9.7312   -5.9627 Cl  0  0  0  0  0
   -1.7593   -1.6065    1.8582 Cl  0  0  0  0  0
   -1.8384    0.6175   -3.2834 H   0  0  0  0  0
   -3.9233   -0.2062   -2.2209 H   0  0  0  0  0
   -3.8439   -1.1968    0.0413 H   0  0  0  0  0
    0.3050    0.4448   -2.1118 H   0  0  0  0  0
    0.8027   -1.3544    1.1661 H   0  0  0  0  0
    0.9420    0.3878    0.9615 H   0  0  0  0  0
    2.4825    1.2586   -0.5223 H   0  0  0  0  0
    4.4863    0.8923   -1.9128 H   0  0  0  0  0
    5.1352   -1.3639   -2.6018 H   0  0  0  0  0
    3.0775   -4.2865   -1.5251 H   0  0  0  0  0
    4.0918   -5.9752   -1.9817 H   0  0  0  0  0
    6.3400   -5.1374   -4.8720 H   0  0  0  0  0
    7.4451   -6.8831   -6.1790 H   0  0  0  0  0
    5.6420   -9.9156   -3.7162 H   0  0  0  0  0
    4.5259   -8.1783   -2.3879 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3  4  2  0  0  0
  3 29  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 11 12  2  0  0  0
 11 35  1  0  0  0
 12 13  1  0  0  0
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 15 16  1  0  0  0
 15 36  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 18 37  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 38  1  0  0  0
 21 22  2  0  0  0
 21 39  1  0  0  0
 22 23  1  0  0  0
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 23 24  2  0  0  0
 23 40  1  0  0  0
 24 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1271637

>  <PubChem CID>
52944267

>  <Formula>
C19H15Cl2N3O2

>  <Molecular Weight>
388.248000

>  <IUPAC Name>
1-(4-chlorophenyl)-3-[1-[(2-chlorophenyl)methyl]-2-oxopyridin-3-yl]urea

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C(C(=C1)CN2C=CC=C(C2=O)NC(=O)NC3=CC=C(C=C3)Cl)Cl

>  <Isomeric SMILES>
C1=CC=C(C(=C1)CN2C=CC=C(C2=O)NC(=O)NC3=CC=C(C=C3)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C19H15Cl2N3O2/c20-14-7-9-15(10-8-14)22-19(26)23-17-6-3-11-24(18(17)25)12-13-4-1-2-5-16(13)21/h1-11H,12H2,(H2,22,23,26)

>  <InChI Key>
ALEAKEZMXBWXTM-UHFFFAOYSA-N

