53383170
  -OEChem-05052406242D

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M  END
> <PUBCHEM_COMPOUND_CID>
53383170

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
886

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OQAAAAAAAAAAAAAAAAAAASAAAAA0YMECAAAAAACR1AAAHwAQAAAADCzhmA4wxoPABECoA61y1ASCCAAlIgAIiAGu/NgNZr7MtbuWOSrm9hnK6Ye42IOOAEAAAgAAQCAAgAAEAACAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)-2-[3-(2-furyl)-2-oxo-quinoxalin-1-yl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)-2-[3-(2-furanyl)-2-oxo-1-quinoxalinyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)-2-[3-(furan-2-yl)-2-oxidanylidene-quinoxalin-1-yl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-fluorophenyl)-2-[3-(2-furyl)-2-keto-quinoxalin-1-yl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C28H20FN3O5/c29-19-7-2-1-6-18(19)26(27(33)30-17-11-12-22-24(16-17)37-15-14-36-22)32-21-9-4-3-8-20(21)31-25(28(32)34)23-10-5-13-35-23/h1-13,16,26H,14-15H2,(H,30,33)

> <PUBCHEM_IUPAC_INCHIKEY>
VJDGRPLEXXRXTO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
497.13869891

> <PUBCHEM_MOLECULAR_FORMULA>
C28H20FN3O5

> <PUBCHEM_MOLECULAR_WEIGHT>
497.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COC2=C(O1)C=CC(=C2)NC(=O)C(C3=CC=CC=C3F)N4C5=CC=CC=C5N=C(C4=O)C6=CC=CO6

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COC2=C(O1)C=CC(=C2)NC(=O)C(C3=CC=CC=C3F)N4C5=CC=CC=C5N=C(C4=O)C6=CC=CO6

> <PUBCHEM_CACTVS_TPSA>
93.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
497.13869891

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
37

> <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>
10  13  3
11  15  8
11  17  8
12  18  8
12  19  8
14  16  8
15  21  8
17  23  8
18  27  8
19  28  8
20  24  8
20  30  8
21  26  8
22  35  8
23  26  8
24  25  8
25  29  8
27  31  8
28  31  8
29  32  8
30  32  8
35  36  8
36  37  8
6  22  8
6  37  8
7  11  8
7  14  8
9  15  8
9  16  8

$$$$