
 CHEMBL3734024

 51 54  0  0  0  0  0  0  0  0999 V2000
    1.8218   -0.3840   -1.5421 C   0  0  0  0  0
    2.3083   -0.0578   -0.2411 O   0  0  0  0  0
    3.0101    1.1666   -0.3188 N   0  0  0  0  0
    2.2871    2.3252   -0.1546 C   0  0  0  0  0
    1.0662    2.3969   -0.0390 O   0  0  0  0  0
    3.1194    3.5512   -0.1526 C   0  0  0  0  0
    4.4524    3.3957   -0.1963 C   0  0  0  0  0
    5.3526    4.5988   -0.2479 C   0  0  0  0  0
    4.6043    5.8362   -0.7312 C   0  0  0  0  0
    3.3356    5.9957   -0.0177 N   0  0  0  0  0
    2.3997    4.8638   -0.0949 C   0  0  0  0  0
    2.9040    7.1475    0.6352 C   0  0  0  0  0
    1.8101    7.2438    1.1887 O   0  0  0  0  0
    3.8094    8.3125    0.7364 C   0  0  0  0  0
    4.1912    8.7409    2.0130 C   0  0  0  0  0
    5.0550    9.8293    2.1513 C   0  0  0  0  0
    5.5236   10.4880    1.0145 C   0  0  0  0  0
    5.1172   10.0851   -0.2593 C   0  0  0  0  0
    4.2418    9.0044   -0.4003 C   0  0  0  0  0
    6.6097   11.8115    1.1833 Cl  0  0  0  0  0
    5.1041    2.1872   -0.2033 N   0  0  0  0  0
    4.3862    1.1027   -0.2469 C   0  0  0  0  0
    4.9608   -0.1448   -0.2317 N   0  0  0  0  0
    6.2745   -0.3781    0.3301 C   0  0  0  0  0
    6.1652   -0.6136    1.8180 C   0  0  0  0  0
    5.9676   -1.9081    2.3223 C   0  0  0  0  0
    5.8284   -2.1191    3.6968 C   0  0  0  0  0
    5.8794   -1.0358    4.5721 C   0  0  0  0  0
    6.0667    0.2561    4.0865 C   0  0  0  0  0
    6.2064    0.4668    2.7131 C   0  0  0  0  0
    5.7038   -1.2972    6.2635 Cl  0  0  0  0  0
    1.3412   -1.3646   -1.4895 H   0  0  0  0  0
    2.6462   -0.4404   -2.2605 H   0  0  0  0  0
    1.0806    0.3485   -1.8756 H   0  0  0  0  0
    5.7596    4.7757    0.7553 H   0  0  0  0  0
    6.1997    4.4148   -0.9195 H   0  0  0  0  0
    5.2609    6.6969   -0.6122 H   0  0  0  0  0
    4.3639    5.7519   -1.7990 H   0  0  0  0  0
    1.7982    5.0069   -0.9999 H   0  0  0  0  0
    1.7260    4.8864    0.7697 H   0  0  0  0  0
    3.8148    8.2282    2.8962 H   0  0  0  0  0
    5.3548   10.1573    3.1433 H   0  0  0  0  0
    5.4759   10.6093   -1.1411 H   0  0  0  0  0
    3.9103    8.7014   -1.3900 H   0  0  0  0  0
    4.2856   -0.8698   -0.0087 H   0  0  0  0  0
    6.9693    0.4447    0.1188 H   0  0  0  0  0
    6.7119   -1.2628   -0.1469 H   0  0  0  0  0
    5.9176   -2.7605    1.6480 H   0  0  0  0  0
    5.6762   -3.1252    4.0756 H   0  0  0  0  0
    6.0980    1.1021    4.7678 H   0  0  0  0  0
    6.3370    1.4816    2.3397 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7 21  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 11 39  1  0  0  0
 11 40  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 16 17  2  0  0  0
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 17 18  1  0  0  0
 17 20  1  0  0  0
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 18 43  1  0  0  0
 19 44  1  0  0  0
 21 22  2  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
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 24 25  1  0  0  0
 24 46  1  0  0  0
 24 47  1  0  0  0
 25 26  2  0  0  0
 25 30  1  0  0  0
 26 27  1  0  0  0
 26 48  1  0  0  0
 27 28  2  0  0  0
 27 49  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3734024

>  <PubChem CID>
66686120

>  <Formula>
C22H20Cl2N4O3

>  <Molecular Weight>
459.327000

>  <IUPAC Name>
6-(4-chlorobenzoyl)-2-[(4-chlorophenyl)methylamino]-3-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CON1C(=O)C2=C(CCN(C2)C(=O)C3=CC=C(C=C3)Cl)N=C1NCC4=CC=C(C=C4)Cl

>  <Isomeric SMILES>
CON1C(=O)C2=C(CCN(C2)C(=O)C3=CC=C(C=C3)Cl)N=C1NCC4=CC=C(C=C4)Cl

>  <InChI Std. ID>
InChI=1S/C22H20Cl2N4O3/c1-31-28-21(30)18-13-27(20(29)15-4-8-17(24)9-5-15)11-10-19(18)26-22(28)25-12-14-2-6-16(23)7-3-14/h2-9H,10-13H2,1H3,(H,25,26)

>  <InChI Key>
CADAXEOYIBAPKS-UHFFFAOYSA-N

