
 CHEMBL1771452

 62 66  0  0  0  0  0  0  0  0999 V2000
    6.0792    5.9259    3.3299 C   0  0  0  0  0
    4.6625    5.8513    3.8810 C   0  0  0  0  0
    3.7237    5.1022    2.9666 C   0  0  0  0  0
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    3.8606    3.7243    2.7712 C   0  0  0  0  0
    0.7615    5.7502    0.7317 N   0  0  0  0  0
    0.5023    7.1037    0.6550 C   0  0  0  0  0
    1.1685    7.9676    1.2164 O   0  0  0  0  0
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   -1.5932    6.5218   -0.6675 C   0  0  0  0  0
   -4.1422    5.0227   -1.6117 C   0  0  0  0  0
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   -5.6233    9.0158   -3.8477 C   0  0  0  0  0
   -6.8209    8.3687   -4.2121 C   0  0  0  0  0
   -7.8350    9.0442   -4.8999 C   0  0  0  0  0
   -7.6633   10.3794   -5.2382 C   0  0  0  0  0
   -6.4986   11.0521   -4.9025 C   0  0  0  0  0
   -5.4892   10.3741   -4.2125 C   0  0  0  0  0
   -8.6347   11.0257   -5.8956 F   0  0  0  0  0
    6.7101    6.5286    3.9911 H   0  0  0  0  0
    6.0945    6.3825    2.3344 H   0  0  0  0  0
    6.5311    4.9315    3.2514 H   0  0  0  0  0
    4.2933    6.8709    4.0463 H   0  0  0  0  0
    4.6676    5.3656    4.8640 H   0  0  0  0  0
    2.6019    6.8550    2.4735 H   0  0  0  0  0
    1.3021    3.1825    0.6121 H   0  0  0  0  0
    3.0992    1.9761    1.7756 H   0  0  0  0  0
    4.6493    3.1733    3.2780 H   0  0  0  0  0
    0.2155    5.1366    0.1562 H   0  0  0  0  0
   -0.0147    9.4956    0.0007 H   0  0  0  0  0
   -1.6641    9.1067    0.4987 H   0  0  0  0  0
   -0.5568    9.0374   -2.3778 H   0  0  0  0  0
   -1.5855   10.3122   -1.6984 H   0  0  0  0  0
   -2.0434    6.0282    0.2010 H   0  0  0  0  0
   -1.0406    5.7864   -1.2583 H   0  0  0  0  0
   -2.1982    4.2344   -2.1888 H   0  0  0  0  0
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   -6.9865    5.7753   -2.0678 H   0  0  0  0  0
   -6.9736    7.3220   -3.9555 H   0  0  0  0  0
   -8.7546    8.5353   -5.1702 H   0  0  0  0  0
   -6.3794   12.0962   -5.1733 H   0  0  0  0  0
   -4.5835   10.9209   -3.9515 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  3  1  0  0  0
  2 39  1  0  0  0
  2 40  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 41  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 42  1  0  0  0
  7  8  2  0  0  0
  7 43  1  0  0  0
  8 44  1  0  0  0
  9 10  1  0  0  0
  9 45  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 21  1  0  0  0
 13 14  1  0  0  0
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 14 15  1  0  0  0
 14 48  1  0  0  0
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 15 16  2  0  0  0
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 27 28  1  0  0  0
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 28 58  1  0  0  0
 29 30  2  0  0  0
 29 34  1  0  0  0
 30 31  1  0  0  0
 30 59  1  0  0  0
 31 32  2  0  0  0
 31 60  1  0  0  0
 32 33  1  0  0  0
 32 35  1  0  0  0
 33 34  2  0  0  0
 33 61  1  0  0  0
 34 62  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1771452

>  <PubChem CID>
54583558

>  <Formula>
C29H27FN4O

>  <Molecular Weight>
466.560000

>  <IUPAC Name>
N-(3-ethylphenyl)-2-(4-fluorophenyl)-4-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC1=CC(=CC=C1)NC(=O)N2CCC3=NC(=NC(=C3C2)C4=CC=CC=C4C)C5=CC=C(C=C5)F

>  <Isomeric SMILES>
CCC1=CC(=CC=C1)NC(=O)N2CCC3=NC(=NC(=C3C2)C4=CC=CC=C4C)C5=CC=C(C=C5)F

>  <InChI Std. ID>
InChI=1S/C29H27FN4O/c1-3-20-8-6-9-23(17-20)31-29(35)34-16-15-26-25(18-34)27(24-10-5-4-7-19(24)2)33-28(32-26)21-11-13-22(30)14-12-21/h4-14,17H,3,15-16,18H2,1-2H3,(H,31,35)

>  <InChI Key>
MREVJNORNURGCV-UHFFFAOYSA-N

