
 CHEMBL492570

 37 40  0  0  0  0  0  0  0  0999 V2000
    4.0613    0.0490   -0.9598 C   0  0  0  0  0
    4.0584   -1.3451   -0.9814 C   0  0  0  0  0
    2.8686   -2.0429   -0.7754 C   0  0  0  0  0
    1.6802   -1.3458   -0.5577 C   0  0  0  0  0
    1.6753    0.0511   -0.5222 C   0  0  0  0  0
    2.8761    0.7472   -0.7257 C   0  0  0  0  0
    0.3889    0.7889   -0.2367 C   0  0  0  0  0
   -0.8209   -0.0880   -0.4701 C   0  0  0  0  0
   -0.6710   -1.4793   -0.5113 C   0  0  0  0  0
    0.5468   -2.1037   -0.3802 O   0  0  0  0  0
   -1.7805   -2.3104   -0.6821 C   0  0  0  0  0
   -3.0488   -1.7523   -0.8385 C   0  0  0  0  0
   -3.1963   -0.3701   -0.8126 C   0  0  0  0  0
   -2.1000    0.4662   -0.6238 C   0  0  0  0  0
   -4.4135    0.1655   -0.9688 F   0  0  0  0  0
    0.4014    1.3927    1.1790 C   0  0  0  0  0
    0.4594    2.6132    1.3256 O   0  0  0  0  0
    0.3530    0.4589    2.1917 N   0  0  0  0  0
    0.3519    0.7783    3.5136 C   0  0  0  0  0
    0.2185   -0.0873    4.4958 N   0  0  0  0  0
    0.2562    0.6948    5.6459 C   0  0  0  0  0
    0.4420    2.0087    5.2782 C   0  0  0  0  0
    0.4982    2.0693    3.9208 O   0  0  0  0  0
    0.1055    0.1571    7.0254 C   0  0  0  0  0
    1.2192    0.3737    7.7745 F   0  0  0  0  0
   -0.9235    0.7542    7.6848 F   0  0  0  0  0
   -0.1346   -1.1785    7.0561 F   0  0  0  0  0
    4.9887    0.5932   -1.1229 H   0  0  0  0  0
    4.9829   -1.8877   -1.1620 H   0  0  0  0  0
    2.8676   -3.1296   -0.7966 H   0  0  0  0  0
    2.8952    1.8356   -0.7010 H   0  0  0  0  0
    0.3232    1.6201   -0.9539 H   0  0  0  0  0
   -1.6556   -3.3900   -0.7063 H   0  0  0  0  0
   -3.9198   -2.3837   -0.9843 H   0  0  0  0  0
   -2.2560    1.5418   -0.6016 H   0  0  0  0  0
    0.2759   -0.5271    1.9892 H   0  0  0  0  0
    0.5371    2.9466    5.8062 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  3 30  1  0  0  0
  4 10  1  0  0  0
  4  5  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 16  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
  8 14  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
 11 12  2  0  0  0
 11 33  1  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 13 14  2  0  0  0
 13 15  1  0  0  0
 14 35  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 19 20  2  0  0  0
 19 23  1  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 24  1  0  0  0
 22 23  1  0  0  0
 22 37  1  0  0  0
 24 27  1  0  0  0
 24 26  1  0  0  0
 24 25  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL492570

>  <PubChem CID>
10407284

>  <Formula>
C18H10F4N2O3

>  <Molecular Weight>
378.283000

>  <IUPAC Name>
2-fluoro-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]-9H-xanthene-9-carboxamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1=CC=C2C(=C1)C(C3=C(O2)C=CC(=C3)F)C(=O)NC4=NC(=CO4)C(F)(F)F

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C(C3=C(O2)C=CC(=C3)F)C(=O)NC4=NC(=CO4)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C18H10F4N2O3/c19-9-5-6-13-11(7-9)15(10-3-1-2-4-12(10)27-13)16(25)24-17-23-14(8-26-17)18(20,21)22/h1-8,15H,(H,23,24,25)

>  <InChI Key>
CZZMGDJRWNPMPM-UHFFFAOYSA-N

