496993
  -OEChem-05052422302D

 57 60  0     1  0  0  0  0  0999 V2000
    2.0280    0.2795    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2601   -4.2594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7306    5.7740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.9993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0234   -6.6864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1100    7.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.5277    7.7045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    3.2795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    1.2795    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -2.7205    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4411   -5.9819    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1155    6.8955    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8940    2.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    2.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940    1.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    1.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    4.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601    0.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2601   -4.2594    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5691   -3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7601   -1.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -0.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261    4.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8479   -5.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940   -1.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6261   -1.2205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9511   -3.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5396    4.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2088    5.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7088    5.9819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0289   -6.7909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6222   -7.7045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6820    3.3621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2835    2.6718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2367    2.6718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8382    3.3621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2835    1.8872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6820    1.1969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8382    1.1969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2367    1.8872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5480    4.8621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1495    4.1718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9786   -4.8118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1355   -3.5605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8791   -2.7714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630    0.0895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3619   -5.4151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2786   -4.6224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3571   -1.5305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1630   -1.5305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6686    3.7663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8245   -6.0467    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8254    5.0511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0558   -7.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3700   -8.2709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1886   -7.9567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 19  1  0  0  0  0
  2 28  1  0  0  0  0
  3 24  1  0  0  0  0
  3 31  1  0  0  0  0
  4 28  2  0  0  0  0
  5 32  2  0  0  0  0
  6 12  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 17  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 18  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 28  1  0  0  0  0
 11 25  1  0  0  0  0
 11 32  1  0  0  0  0
 11 53  1  0  0  0  0
 12 31  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 16  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 24  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  1  6  0  0  0
 19 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 26  2  0  0  0  0
 21 27  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  2  0  0  0  0
 23 47  1  0  0  0  0
 24 29  2  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 29 30  1  0  0  0  0
 29 52  1  0  0  0  0
 30 31  2  0  0  0  0
 30 54  1  0  0  0  0
 32 33  1  0  0  0  0
 33 55  1  0  0  0  0
 33 56  1  0  0  0  0
 33 57  1  0  0  0  0
M  CHG  2   6  -1  12   1
M  END
> <PUBCHEM_COMPOUND_CID>
496993

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
730

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
9

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uQAAAAAAAAAAAAAAAAAAAWJAAAA8QAAAAAAAAAABwAAAHwAUAAAACBzhkA4yzIPQRECJAKVSWwCCCAAtIgAoiIGObMoOZjLE9bufOSjk1hHY6Ye8EQIAAACAAAAAAAAAAQAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[[(5S)-3-[3-fluoro-4-[4-[(5-nitro-2-furyl)methyl]piperazin-1-yl]phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[[(5S)-3-[3-fluoro-4-[4-[(5-nitro-2-furanyl)methyl]-1-piperazinyl]phenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[[(5<I>S</I>)-3-[3-fluoro-4-[4-[(5-nitrofuran-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-[[(5S)-3-[3-fluoro-4-[4-[(5-nitrofuran-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[[(5S)-3-[3-fluoranyl-4-[4-[(5-nitrofuran-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[[(5S)-3-[3-fluoro-4-[4-[(5-nitro-2-furyl)methyl]piperazino]phenyl]-2-keto-oxazolidin-5-yl]methyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H24FN5O6/c1-14(28)23-11-17-13-26(21(29)33-17)15-2-4-19(18(22)10-15)25-8-6-24(7-9-25)12-16-3-5-20(32-16)27(30)31/h2-5,10,17H,6-9,11-13H2,1H3,(H,23,28)/t17-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
PWHNTOQANLCTHN-KRWDZBQOSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
461.17106166

> <PUBCHEM_MOLECULAR_FORMULA>
C21H24FN5O6

> <PUBCHEM_MOLECULAR_WEIGHT>
461.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=C(O4)[N+](=O)[O-])F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=C(O4)[N+](=O)[O-])F

> <PUBCHEM_CACTVS_TPSA>
124

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
461.17106166

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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>
18  22  8
18  23  8
19  25  6
21  26  8
21  27  8
22  26  8
23  27  8
24  29  8
29  30  8
3  24  8
3  31  8
30  31  8

$$$$