
 CHEMBL1672236

 42 44  0  0  0  0  0  0  0  0999 V2000
    1.7526   -0.5362    1.7089 C   0  0  0  0  0
    1.6261    0.7234    1.0604 O   0  0  0  0  0
    2.7984    1.3985    0.8011 C   0  0  0  0  0
    2.6630    2.7806    0.5664 C   0  0  0  0  0
    3.8032    3.5472    0.3324 C   0  0  0  0  0
    5.0644    2.9388    0.3071 C   0  0  0  0  0
    5.1984    1.5587    0.4822 C   0  0  0  0  0
    4.0580    0.7923    0.7338 C   0  0  0  0  0
    6.4945    1.0165    0.3891 N   0  0  0  0  0
    6.8522   -0.3179    0.3216 C   0  0  0  0  0
    6.1037   -1.2878    0.3428 O   0  0  0  0  0
    8.3272   -0.5292    0.1641 C   0  0  0  0  0
    9.1145    0.5572    0.3730 N   0  0  0  0  0
   10.4273    0.3337    0.2314 C   0  0  0  0  0
   10.9962   -0.8307   -0.1190 N   0  0  0  0  0
   10.1601   -1.8645   -0.3331 C   0  0  0  0  0
    8.7987   -1.7744   -0.1960 C   0  0  0  0  0
    1.3511    3.3048    0.6011 N   0  0  0  0  0
    0.9218    4.5798    0.3143 C   0  0  0  0  0
    1.6477    5.5080   -0.0317 O   0  0  0  0  0
   -0.5415    4.8548    0.4890 C   0  0  0  0  0
   -0.8844    6.1976    0.7442 C   0  0  0  0  0
   -2.2109    6.5817    0.9560 C   0  0  0  0  0
   -3.2215    5.6291    0.9156 C   0  0  0  0  0
   -2.9050    4.2982    0.6472 C   0  0  0  0  0
   -1.5755    3.9071    0.4251 C   0  0  0  0  0
   -1.3429    2.2382    0.0385 Cl  0  0  0  0  0
    2.3693   -0.4605    2.6124 H   0  0  0  0  0
    2.1437   -1.2943    1.0224 H   0  0  0  0  0
    0.7509   -0.8529    2.0175 H   0  0  0  0  0
    3.7449    4.6177    0.1694 H   0  0  0  0  0
    5.9341    3.5640    0.1186 H   0  0  0  0  0
    4.1491   -0.2759    0.8780 H   0  0  0  0  0
    7.2712    1.6669    0.2942 H   0  0  0  0  0
   11.0950    1.1666    0.4169 H   0  0  0  0  0
   10.6356   -2.7953   -0.6280 H   0  0  0  0  0
    8.1433   -2.6148   -0.3724 H   0  0  0  0  0
    0.6512    2.5976    0.8125 H   0  0  0  0  0
   -0.1069    6.9612    0.7848 H   0  0  0  0  0
   -2.4488    7.6244    1.1529 H   0  0  0  0  0
   -4.2552    5.9211    1.0828 H   0  0  0  0  0
   -3.7078    3.5638    0.6036 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  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 18  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 16 36  1  0  0  0
 17 37  1  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 39  1  0  0  0
 23 24  2  0  0  0
 23 40  1  0  0  0
 24 25  1  0  0  0
 24 41  1  0  0  0
 25 26  2  0  0  0
 25 42  1  0  0  0
 26 27  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1672236

>  <PubChem CID>
51003234

>  <Formula>
C19H15ClN4O3

>  <Molecular Weight>
382.804000

>  <IUPAC Name>
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]pyrimidine-4-carboxamide

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=C(C=CC(=C1)NC(=O)C2=NC=NC=C2)NC(=O)C3=CC=CC=C3Cl

>  <Isomeric SMILES>
COC1=C(C=CC(=C1)NC(=O)C2=NC=NC=C2)NC(=O)C3=CC=CC=C3Cl

>  <InChI Std. ID>
InChI=1S/C19H15ClN4O3/c1-27-17-10-12(23-19(26)16-8-9-21-11-22-16)6-7-15(17)24-18(25)13-4-2-3-5-14(13)20/h2-11H,1H3,(H,23,26)(H,24,25)

>  <InChI Key>
GZPRAHBIWSNPMM-UHFFFAOYSA-N

