59736729
  -OEChem-04252417152D

 53 58  0     0  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    0.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8308    3.4308    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    0.4362    0.0000 N   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
    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
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    8.1282    1.9362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320    0.4054    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
    2.8718   -1.0979    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
    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
   10.7263    0.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7263    2.4362    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
   10.8308   -0.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6398    2.0295    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
   11.8089   -0.7662    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
   12.3089    0.0998    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
    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
    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
    4.2740   -0.9025    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
    1.4681   -0.9133    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
   10.3700   -0.9731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7687    1.4230    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
   12.0611   -1.3326    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
    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
   12.9255    0.1646    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
    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
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  1 35  1  0  0  0  0
  2 22  1  0  0  0  0
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  3 33  1  0  0  0  0
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  5  9  1  0  0  0  0
  5 12  2  0  0  0  0
  6 10  1  0  0  0  0
  6 13  2  0  0  0  0
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  8 21  1  0  0  0  0
  8 48  1  0  0  0  0
  8 49  1  0  0  0  0
  9 10  2  0  0  0  0
  9 14  1  0  0  0  0
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 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
59736729

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
743

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sABAAAAAAAAAAAAAAAAAASJEgAA8YIAAAAAAAACx/gAAHgQQAAAADAyl3gKwxbLIFEisA61y1ASDiKQnOjBImDm2fNgOZvrktbuXOajm1BH46cff2aOeCAAAQAAAACAQAACAAAAAQAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H18N4O3S/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/h1-15H,28H2,(H,31,32)

> <PUBCHEM_IUPAC_INCHIKEY>
LPDSQMIBYCHUAF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
478.10996162

> <PUBCHEM_MOLECULAR_FORMULA>
C27H18N4O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
478.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=COC(=C1)C2=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>
C1=COC(=C1)C2=NC3=C(C=C(C=C3)C(=O)NC4=C(C=CC(=C4)C5=CC=CS5)N)N=C2C6=CC=CO6

> <PUBCHEM_CACTVS_TPSA>
135

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
478.10996162

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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>
1  26  8
1  35  8
10  16  8
11  14  8
11  17  8
12  13  8
15  20  8
15  21  8
16  17  8
18  20  8
18  24  8
2  22  8
2  32  8
21  25  8
22  27  8
23  28  8
24  25  8
26  29  8
27  30  8
28  31  8
29  34  8
3  23  8
3  33  8
30  32  8
31  33  8
34  35  8
5  12  8
5  9  8
6  10  8
6  13  8
9  10  8
9  14  8

$$$$