
 CHEMBL3401177

 39 42  0  0  0  0  0  0  0  0999 V2000
   -1.1694   -1.0510    1.2030 C   0  0  0  0  0
   -0.6133    0.1878    1.5116 C   0  0  0  0  0
    0.7332    0.4359    1.2337 C   0  0  0  0  0
    1.5317   -0.5486    0.6475 C   0  0  0  0  0
    0.9690   -1.7901    0.3444 C   0  0  0  0  0
   -0.3787   -2.0391    0.6210 C   0  0  0  0  0
    2.8297   -0.1784    0.4226 O   0  0  0  0  0
    3.6725   -1.1529   -0.2011 C   0  0  0  0  0
    5.0542   -0.6295   -0.4281 C   0  0  0  0  0
    5.4715    0.6567   -0.6950 C   0  0  0  0  0
    6.8457    0.6003   -0.8193 N   0  0  0  0  0
    7.1872   -0.7195   -0.6443 C   0  0  0  0  0
    6.1392   -1.4796   -0.4172 N   0  0  0  0  0
    8.5456   -1.0439   -0.7306 C   0  0  0  0  0
    9.4330   -0.0680   -0.9478 C   0  0  0  0  0
    9.0945    1.2856   -1.1074 N   0  0  0  0  0
    7.7197    1.6714   -1.0696 C   0  0  0  0  0
    7.2029    2.7697   -1.2173 O   0  0  0  0  0
   10.1362    2.3052   -1.3058 C   0  0  0  0  0
    9.8439    3.6750   -1.4629 C   0  0  0  0  0
   10.8448    4.6424   -1.6387 C   0  0  0  0  0
   12.1724    4.2619   -1.6625 C   0  0  0  0  0
   12.5149    2.9309   -1.5134 C   0  0  0  0  0
   11.5091    1.9673   -1.3380 C   0  0  0  0  0
   13.1296    5.1828   -1.8276 F   0  0  0  0  0
   -2.2169   -1.2475    1.4162 H   0  0  0  0  0
   -1.2255    0.9620    1.9674 H   0  0  0  0  0
    1.1616    1.4052    1.4773 H   0  0  0  0  0
    1.5467   -2.5905   -0.1068 H   0  0  0  0  0
   -0.8100   -3.0081    0.3807 H   0  0  0  0  0
    3.2597   -1.4341   -1.1777 H   0  0  0  0  0
    3.7432   -2.0396    0.4412 H   0  0  0  0  0
    4.9323    1.5898   -0.7921 H   0  0  0  0  0
    8.8487   -2.0779   -0.6118 H   0  0  0  0  0
   10.4723   -0.3611   -1.0002 H   0  0  0  0  0
    8.8341    4.0680   -1.4536 H   0  0  0  0  0
   10.5813    5.6896   -1.7548 H   0  0  0  0  0
   13.5602    2.6420   -1.5316 H   0  0  0  0  0
   11.8675    0.9518   -1.2251 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  3  4  2  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 29  1  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9 13  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 11 17  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  2  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 36  1  0  0  0
 21 22  2  0  0  0
 21 37  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 38  1  0  0  0
 24 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3401177

>  <PubChem CID>
68290572

>  <Formula>
C19H14FN3O2

>  <Molecular Weight>
335.338000

>  <IUPAC Name>
6-(4-fluorophenyl)-2-(phenoxymethyl)imidazo[1,2-c]pyrimidin-5-one

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)OCC2=CN3C(=N2)C=CN(C3=O)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
C1=CC=C(C=C1)OCC2=CN3C(=N2)C=CN(C3=O)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C19H14FN3O2/c20-14-6-8-16(9-7-14)22-11-10-18-21-15(12-23(18)19(22)24)13-25-17-4-2-1-3-5-17/h1-12H,13H2

>  <InChI Key>
SCXUQPKHWUFDNI-UHFFFAOYSA-N

