70336334
  -OEChem-04162415232D

 55 60  0     1  0  0  0  0  0999 V2000
    2.0689   -2.6888    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.6398    2.0295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8308   -0.5583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4679   -0.5879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    2.4362    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9942    0.4362    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5961    0.9087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602    1.9021    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263    2.4362    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.8308    3.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    1.9362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8602    0.9362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8089    3.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    1.9362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1282    0.9362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3089    2.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263    0.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2342    0.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3282    0.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2342    2.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3282    1.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6398    0.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -1.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7359   -0.5946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    0.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3089    0.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8089   -0.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0038   -0.6013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8757   -2.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6869   -2.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3816   -3.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3816   -3.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2063    2.7739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7660    4.0474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2108    3.4308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0611    4.2051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9255    2.7078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2414   -0.2184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2414    3.0908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7924    2.2691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7687    1.4494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5937    1.5287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2740   -0.9025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9255    0.1646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4681   -0.9133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0611   -1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619    0.7067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2758   -2.4887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3221    2.2100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3960    2.2141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7479   -4.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0191   -4.1417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  1 35  1  0  0  0  0
  2  9  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  1  0  0  0  0
  3 29  1  0  0  0  0
  4 22  2  0  0  0  0
  5 11  2  0  0  0  0
  5 14  1  0  0  0  0
  6 12  2  0  0  0  0
  6 15  1  0  0  0  0
  7 22  1  0  0  0  0
  7 24  1  0  0  0  0
  7 45  1  0  0  0  0
  8 27  1  0  0  0  0
  8 52  1  0  0  0  0
  8 53  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 36  1  0  0  0  0
 10 13  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 12 17  1  0  0  0  0
 13 16  2  0  0  0  0
 13 39  1  0  0  0  0
 14 15  2  0  0  0  0
 14 20  1  0  0  0  0
 15 18  1  0  0  0  0
 16 40  1  0  0  0  0
 17 23  2  0  0  0  0
 18 19  2  0  0  0  0
 18 41  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 21  2  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 23 28  1  0  0  0  0
 23 44  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
 25 26  2  0  0  0  0
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 25 32  1  0  0  0  0
 26 46  1  0  0  0  0
 27 31  1  0  0  0  0
 28 29  2  0  0  0  0
 28 47  1  0  0  0  0
 29 49  1  0  0  0  0
 30 31  2  0  0  0  0
 30 48  1  0  0  0  0
 31 50  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
70336334

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
784

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sABAAAAAAAAAAAAAAAAAASJEAAA8YIAAAAAAAACx/gAAHgQQAAAADByl3gKwxbLIFEisA61y1ASDiKQnOjBImDm2fNgOZvrktbuXOajm1BH46cfe2aOeCAAAQAAAACAQAACAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-amino-5-(2-thienyl)phenyl]-2-(2,3-dihydrofuran-2-yl)-3-(2-furyl)quinoxaline-6-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2-amino-5-thiophen-2-ylphenyl)-2-(2,3-dihydrofuran-2-yl)-3-(2-furanyl)-6-quinoxalinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2-amino-5-thiophen-2-ylphenyl)-2-(2,3-dihydrofuran-2-yl)-3-(furan-2-yl)quinoxaline-6-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(2-amino-5-thiophen-2-ylphenyl)-2-(2,3-dihydrofuran-2-yl)-3-(furan-2-yl)quinoxaline-6-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2-azanyl-5-thiophen-2-yl-phenyl)-2-(2,3-dihydrofuran-2-yl)-3-(furan-2-yl)quinoxaline-6-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-amino-5-(2-thienyl)phenyl]-2-(2,3-dihydrofuran-2-yl)-3-(2-furyl)quinoxaline-6-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H20N4O3S/c28-18-9-7-16(24-6-3-13-35-24)14-20(18)31-27(32)17-8-10-19-21(15-17)30-26(23-5-2-12-34-23)25(29-19)22-4-1-11-33-22/h1-3,5-15,22H,4,28H2,(H,31,32)

> <PUBCHEM_IUPAC_INCHIKEY>
NOTOOYZMFRYUKC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.9

> <PUBCHEM_EXACT_MASS>
480.12561169

> <PUBCHEM_MOLECULAR_FORMULA>
C27H20N4O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
480.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C=COC1C2=NC3=C(C=C(C=C3)C(=O)NC4=C(C=CC(=C4)C5=CC=CS5)N)N=C2C6=CC=CO6

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C=COC1C2=NC3=C(C=C(C=C3)C(=O)NC4=C(C=CC(=C4)C5=CC=CS5)N)N=C2C6=CC=CO6

> <PUBCHEM_CACTVS_TPSA>
132

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
480.12561169

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
1  32  8
1  35  8
11  12  8
14  15  8
14  20  8
15  18  8
17  23  8
18  19  8
19  21  8
20  21  8
23  28  8
24  26  8
24  27  8
25  26  8
25  30  8
27  31  8
28  29  8
3  17  8
3  29  8
30  31  8
32  33  8
33  34  8
34  35  8
5  11  8
5  14  8
6  12  8
6  15  8
9  11  3

$$$$