
 CHEMBL239620

 28 30  0  0  0  0  0  0  0  0999 V2000
    1.0539   -0.1263   -0.3277 C   0  0  0  0  0
    2.5276    0.0063   -0.0821 C   0  0  0  0  0
    3.2694   -1.1272   -0.1518 N   0  0  0  0  0
    4.5861   -1.0759    0.0647 C   0  0  0  0  0
    5.2752   -2.2071   -0.0112 N   0  0  0  0  0
    6.5983   -2.1638    0.2126 C   0  0  0  0  0
    7.2857   -1.0467    0.5079 N   0  0  0  0  0
    6.5688    0.0857    0.5741 C   0  0  0  0  0
    5.2028    0.1369    0.3620 C   0  0  0  0  0
    4.4435    1.3149    0.4336 C   0  0  0  0  0
    3.0775    1.2455    0.2073 C   0  0  0  0  0
    7.3488   -3.4341    0.1307 C   0  0  0  0  0
    6.7248   -4.6305   -0.2771 C   0  0  0  0  0
    7.4308   -5.8384   -0.3561 C   0  0  0  0  0
    8.7868   -5.8765   -0.0236 C   0  0  0  0  0
    9.4281   -4.7069    0.3837 C   0  0  0  0  0
    8.7167   -3.5036    0.4577 C   0  0  0  0  0
    9.7229   -7.3261   -0.0936 Cl  0  0  0  0  0
    6.5666   -7.2435   -0.8722 Cl  0  0  0  0  0
    0.7529    0.5016   -1.1721 H   0  0  0  0  0
    0.4946    0.1755    0.5631 H   0  0  0  0  0
    0.7892   -1.1623   -0.5622 H   0  0  0  0  0
    7.1419    0.9775    0.8116 H   0  0  0  0  0
    4.9078    2.2699    0.6636 H   0  0  0  0  0
    2.4594    2.1363    0.2571 H   0  0  0  0  0
    5.6665   -4.6208   -0.5403 H   0  0  0  0  0
   10.4834   -4.7195    0.6469 H   0  0  0  0  0
    9.2457   -2.6068    0.7802 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  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 23  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 24  1  0  0  0
 11 25  1  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 26  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 27  1  0  0  0
 17 28  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL239620

>  <PubChem CID>
44435032

>  <Formula>
C14H9Cl2N3

>  <Molecular Weight>
290.147000

>  <IUPAC Name>
2-(3,4-dichlorophenyl)-7-methylpyrido[2,3-d]pyrimidine

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C14H9Cl2N3/c1-8-2-3-10-7-17-13(19-14(10)18-8)9-4-5-11(15)12(16)6-9/h2-7H,1H3

>  <InChI Key>
ADMZCWPKWMEYIV-UHFFFAOYSA-N

