
 CHEMBL238552

 31 33  0  0  0  0  0  0  0  0999 V2000
    1.0456   -0.1306   -0.3545 C   0  0  0  0  0
    2.5152    0.0037   -0.0874 C   0  0  0  0  0
    3.2662   -1.1210   -0.1866 N   0  0  0  0  0
    4.5800   -1.0684    0.0476 C   0  0  0  0  0
    5.2796   -2.1908   -0.0583 N   0  0  0  0  0
    6.6008   -2.1464    0.1845 C   0  0  0  0  0
    7.2735   -1.0324    0.5279 N   0  0  0  0  0
    6.5464    0.0907    0.6225 C   0  0  0  0  0
    5.1837    0.1380    0.3937 C   0  0  0  0  0
    4.4145    1.3078    0.4951 C   0  0  0  0  0
    3.0527    1.2370    0.2495 C   0  0  0  0  0
    7.3655   -3.4059    0.0664 C   0  0  0  0  0
    6.7676   -4.5870   -0.4196 C   0  0  0  0  0
    7.4857   -5.7874   -0.5471 C   0  0  0  0  0
    8.8252   -5.8232   -0.1529 C   0  0  0  0  0
    9.4431   -4.6735    0.3322 C   0  0  0  0  0
    8.7218   -3.4806    0.4356 C   0  0  0  0  0
    6.8051   -7.0291   -1.0417 C   0  0  0  0  0
    0.7508    0.5174   -1.1855 H   0  0  0  0  0
    0.4734    0.1439    0.5372 H   0  0  0  0  0
    0.7900   -1.1619   -0.6193 H   0  0  0  0  0
    7.1095    0.9778    0.8972 H   0  0  0  0  0
    4.8696    2.2571    0.7627 H   0  0  0  0  0
    2.4272    2.1209    0.3212 H   0  0  0  0  0
    5.7163   -4.5703   -0.7094 H   0  0  0  0  0
    9.3954   -6.7467   -0.2227 H   0  0  0  0  0
   10.4869   -4.7025    0.6338 H   0  0  0  0  0
    9.2306   -2.5975    0.8190 H   0  0  0  0  0
    5.9916   -6.7818   -1.7321 H   0  0  0  0  0
    6.3941   -7.5923   -0.1984 H   0  0  0  0  0
    7.5086   -7.6680   -1.5863 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2 11  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 12  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 22  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 23  1  0  0  0
 11 24  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 25  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 26  1  0  0  0
 16 17  2  0  0  0
 16 27  1  0  0  0
 17 28  1  0  0  0
 18 29  1  0  0  0
 18 30  1  0  0  0
 18 31  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL238552

>  <PubChem CID>
44435026

>  <Formula>
C15H13N3

>  <Molecular Weight>
235.290000

>  <IUPAC Name>
7-methyl-2-(3-methylphenyl)pyrido[2,3-d]pyrimidine

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=NC2=NC(=NC=C2C=C1)C3=CC(=CC=C3)C

>  <Isomeric SMILES>
CC1=NC2=NC(=NC=C2C=C1)C3=CC(=CC=C3)C

>  <InChI Std. ID>
InChI=1S/C15H13N3/c1-10-4-3-5-12(8-10)14-16-9-13-7-6-11(2)17-15(13)18-14/h3-9H,1-2H3

>  <InChI Key>
AHSIQPYQWYRYSS-UHFFFAOYSA-N

