
 SCHEMBL2582970

 39 43  0  0  0  0  0  0  0  0999 V2000
    1.1523   -2.6265   -2.0120 C   0  0  0  0  0
    1.3748   -1.2194   -2.5710 C   0  0  0  0  0
    1.7131   -0.7389   -1.1438 C   0  0  0  0  0
    1.0629   -2.0230   -0.5902 C   0  0  0  0  0
   -0.3365   -1.8216    0.0622 C   0  0  0  0  0
   -0.8210   -0.6383    0.3034 N   0  0  0  0  0
   -0.1159    0.4829   -0.0141 N   0  0  0  0  0
    1.0804    0.5814   -0.6913 C   0  0  0  0  0
    1.5741    1.6927   -0.9052 O   0  0  0  0  0
   -1.1397   -3.0253    0.4606 C   0  0  0  0  0
   -2.4200   -2.8228    1.0093 C   0  0  0  0  0
   -3.1173   -3.9676    1.3757 C   0  0  0  0  0
   -2.6458   -5.2601    1.2335 C   0  0  0  0  0
   -1.3734   -5.4582    0.6870 C   0  0  0  0  0
   -0.6272   -4.3272    0.3097 C   0  0  0  0  0
   -3.5798   -6.1514    1.6914 N   0  0  0  0  0
   -4.5758   -5.3833    2.0995 C   0  0  0  0  0
   -4.3602   -4.0368    1.9324 O   0  0  0  0  0
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   -8.0119   -5.2335    3.6814 C   0  0  0  0  0
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    0.4706   -0.7694   -2.9964 H   0  0  0  0  0
    2.7979   -0.7305   -0.9627 H   0  0  0  0  0
    1.7360   -2.5304    0.1162 H   0  0  0  0  0
   -0.5473    1.3643    0.2492 H   0  0  0  0  0
   -2.8498   -1.8383    1.1511 H   0  0  0  0  0
   -0.9772   -6.4610    0.5670 H   0  0  0  0  0
    0.3643   -4.5014   -0.0994 H   0  0  0  0  0
   -5.4186   -7.8950    2.5677 H   0  0  0  0  0
   -7.5709   -8.5991    3.5861 H   0  0  0  0  0
   -8.7479   -4.5020    3.9997 H   0  0  0  0  0
   -6.6125   -3.7627    2.9870 H   0  0  0  0  0
  1  2  1  0  0  0
  1  4  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  8  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 13  2  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL2582970

>  <PubChem CID>
67462376

>  <Formula>
C19H14FN3O2

>  <Molecular Weight>
335.338000

>  <IUPAC Name>
2-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]-3,4-diazabicyclo[4.2.0]oct-2-en-5-one

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC2C1C(=NNC2=O)C3=CC4=C(C=C3)N=C(O4)C5=CC=C(C=C5)F

>  <Isomeric SMILES>
C1CC2C1C(=NNC2=O)C3=CC4=C(C=C3)N=C(O4)C5=CC=C(C=C5)F

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

>  <InChI Key>
AGSYOHCROJWYKG-UHFFFAOYSA-N

