54726191
  -OEChem-04242412242D

 49 52  0     1  0  0  0  0  0999 V2000
    2.0000   -1.4458    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7436   -4.4391    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8785    1.0537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1186    4.0883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3701    4.1229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5884    3.1125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7205    1.5608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9846    2.5883    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2525    1.5883    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5923    0.0642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9846    1.5883    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8785    3.1230    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7846    2.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1186    1.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7846    1.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1186    3.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2525    2.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8669    4.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3586    1.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3586    3.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4525    1.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4525    2.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5884    1.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7282   -0.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -1.9425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000   -1.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -2.9425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6038   -2.9358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7398   -3.4391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9780    0.7384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3374    3.4257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3954    2.5031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9936    3.1928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7200    0.6134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5171    0.6134    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9936    0.9838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3954    1.6736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4869    4.1301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8598    4.7429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2470    4.1158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3658    0.4337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8368    4.4391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1304   -0.2437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5139    0.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1180   -0.5492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1357   -1.6237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3361   -3.2545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1420   -3.2437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 30  1  0  0  0  0
  3 11  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  2  0  0  0  0
  5 20  1  0  0  0  0
  5 43  1  0  0  0  0
  6 22  2  0  0  0  0
  7 23  2  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 16  1  0  0  0  0
  9 14  1  0  0  0  0
  9 17  1  0  0  0  0
  9 19  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 44  1  0  0  0  0
 11 14  1  0  0  0  0
 11 31  1  6  0  0  0
 12 13  1  0  0  0  0
 12 18  1  6  0  0  0
 12 32  1  0  0  0  0
 13 15  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  2  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 19 21  2  0  0  0  0
 19 42  1  0  0  0  0
 20 22  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  2  0  0  0  0
 27 47  1  0  0  0  0
 28 30  2  0  0  0  0
 28 48  1  0  0  0  0
 29 30  1  0  0  0  0
 29 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
54726191

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
829

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OYAAAAAAAAAAAAAAAAAAAAAAAAA8WIEAAAAAAACxAAAAHwAQCAAADCzhmA4yAIPABgCIAqVWUAKCAAAgIAAIiIHIBMgKYDqIkTGfYAhmxgCYiccygAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3S,7R)-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
(3S,7R)-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3<I>S</I>,7<I>R</I>)-<I>N</I>-[(2,4-difluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.0<SUP>3,8</SUP>]tetradeca-10,13-diene-13-carboxamide

> <PUBCHEM_IUPAC_NAME>
(3S,7R)-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3S,7R)-N-[[2,4-bis(fluoranyl)phenyl]methyl]-7-methyl-11-oxidanyl-9,12-bis(oxidanylidene)-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3S,7R)-N-(2,4-difluorobenzyl)-11-hydroxy-9,12-diketo-7-methyl-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H19F2N3O5/c1-10-4-5-30-15-9-24-8-13(17(26)18(27)16(24)20(29)25(10)15)19(28)23-7-11-2-3-12(21)6-14(11)22/h2-3,6,8,10,15,27H,4-5,7,9H2,1H3,(H,23,28)/t10-,15+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
RHWKPHLQXYSBKR-BMIGLBTASA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
419.12927704

> <PUBCHEM_MOLECULAR_FORMULA>
C20H19F2N3O5

> <PUBCHEM_MOLECULAR_WEIGHT>
419.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O

> <PUBCHEM_CACTVS_TPSA>
99.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
419.12927704

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  31  6
12  18  6
17  20  8
19  21  8
20  22  8
21  22  8
25  26  8
25  27  8
26  28  8
27  29  8
28  30  8
29  30  8
9  17  8
9  19  8

$$$$