49790960
  -OEChem-05112408262D

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    7.3754   -4.9201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2024   -4.1066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9664   -1.7555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1732    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.8268    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.1732    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6783    0.6316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0709    0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0709   -0.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000    3.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6709   -3.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6889   -1.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4799   -3.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4980   -2.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3934   -3.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    5.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4618   -5.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1160   -3.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2156    0.9408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272    1.1985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4353   -0.0870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4631    0.6368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4000   -2.0076    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.9832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2690    2.0168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.6368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.6368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1045   -3.5900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7537   -1.3199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0643   -2.2721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0420    4.7899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8638   -3.1335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2 14  2  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
49790960

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
639

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAASAAAAA8YIAAAAAAAFgB0AAAHgAQAAAADEzBmgY+xpPIFACoAjV3VAKCiCAxIiAI2CF+7JgPJnLEsZ+POCrm1Bna6Ae43fOOiEAAAgAAQAAQgAAEAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(3,4-dimethoxyphenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(3,4-dimethoxyphenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(3,4-dimethoxyphenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-3<I>H</I>-furo[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(3,4-dimethoxyphenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(3,4-dimethoxyphenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(3,4-dimethoxyphenyl)-4-[4-(dimethylamino)phenyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H27N3O4/c1-25(24(29)27-17-8-11-21(30-4)22(14-17)31-5)15-20-19(12-13-26-23(20)32-25)16-6-9-18(10-7-16)28(2)3/h6-14H,15H2,1-5H3,(H,27,29)

> <PUBCHEM_IUPAC_INCHIKEY>
JXTYODTVJPDGEU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
433.20015635

> <PUBCHEM_MOLECULAR_FORMULA>
C25H27N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
433.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CC2=C(C=CN=C2O1)C3=CC=C(C=C3)N(C)C)C(=O)NC4=CC(=C(C=C4)OC)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CC2=C(C=CN=C2O1)C3=CC=C(C=C3)N(C)C)C(=O)NC4=CC(=C(C=C4)OC)OC

> <PUBCHEM_CACTVS_TPSA>
72.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
433.20015635

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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  11  8
10  13  8
13  16  8
15  18  8
15  19  8
16  17  8
18  22  8
19  23  8
20  24  8
20  25  8
21  22  8
21  23  8
24  26  8
25  27  8
26  28  8
27  28  8
6  11  8
6  17  8
8  12  3

$$$$