
 CHEMBL1224147

 36 38  0  0  0  0  0  0  0  0999 V2000
   -2.7435   -0.2326    3.2296 C   0  0  0  0  0
   -1.7678    0.7292    3.4663 C   0  0  0  0  0
   -0.7945    0.9413    2.4925 C   0  0  0  0  0
   -0.8180    0.1981    1.3201 C   0  0  0  0  0
   -1.7600   -0.7386    1.0763 N   0  0  0  0  0
   -2.6976   -0.9328    2.0321 C   0  0  0  0  0
    0.1278    0.3506    0.2976 N   0  0  0  0  0
    1.0594    1.2282    0.4771 C   0  0  0  0  0
    1.1540    2.0052    1.6011 N   0  0  0  0  0
    0.2780    1.9285    2.6496 C   0  0  0  0  0
    0.3746    2.6268    3.6506 O   0  0  0  0  0
    2.1315    1.4620   -0.5750 C   0  0  0  0  0
    3.0794    2.4224   -0.1108 O   0  0  0  0  0
    4.1096    2.6482   -1.0778 C   0  0  0  0  0
    5.0911    3.6697   -0.5078 C   0  0  0  0  0
    6.2110    3.9881   -1.4645 C   0  0  0  0  0
    6.0837    5.0453   -2.3786 C   0  0  0  0  0
    7.1188    5.3355   -3.2685 C   0  0  0  0  0
    8.2764    4.5675   -3.2480 C   0  0  0  0  0
    8.4184    3.5118   -2.3558 C   0  0  0  0  0
    7.3850    3.2194   -1.4645 C   0  0  0  0  0
    9.2700    4.8486   -4.1012 F   0  0  0  0  0
   -3.5208   -0.4339    3.9590 H   0  0  0  0  0
   -1.7628    1.3016    4.3898 H   0  0  0  0  0
   -3.4378   -1.6946    1.8012 H   0  0  0  0  0
    1.9210    2.6662    1.6635 H   0  0  0  0  0
    1.6446    1.8230   -1.4876 H   0  0  0  0  0
    2.6289    0.5070   -0.7775 H   0  0  0  0  0
    3.6613    3.0224   -2.0060 H   0  0  0  0  0
    4.6226    1.7030   -1.2924 H   0  0  0  0  0
    5.5029    3.3003    0.4405 H   0  0  0  0  0
    4.5554    4.5892   -0.2380 H   0  0  0  0  0
    5.1808    5.6521   -2.3984 H   0  0  0  0  0
    7.0309    6.1552   -3.9743 H   0  0  0  0  0
    9.3321    2.9262   -2.3585 H   0  0  0  0  0
    7.5037    2.3930   -0.7667 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  3 10  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  6 25  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 26  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 27  1  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 29  1  0  0  0
 14 30  1  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 15 32  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 33  1  0  0  0
 18 19  2  0  0  0
 18 34  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 35  1  0  0  0
 21 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1224147

>  <PubChem CID>
135899325

>  <Formula>
C16H14FN3O2

>  <Molecular Weight>
299.305000

>  <IUPAC Name>
2-[2-(4-fluorophenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC2=C(N=C1)N=C(NC2=O)COCCC3=CC=C(C=C3)F

>  <Isomeric SMILES>
C1=CC2=C(N=C1)N=C(NC2=O)COCCC3=CC=C(C=C3)F

>  <InChI Std. ID>
InChI=1S/C16H14FN3O2/c17-12-5-3-11(4-6-12)7-9-22-10-14-19-15-13(16(21)20-14)2-1-8-18-15/h1-6,8H,7,9-10H2,(H,18,19,20,21)

>  <InChI Key>
AJRBNFYXHNKFTP-UHFFFAOYSA-N

