57580725
  -OEChem-05102411012D

 55 59  0     0  0  0  0  0  0999 V2000
    5.4641    6.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084    1.7903    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    6.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084    3.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920    2.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    6.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    6.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    3.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2010    3.9890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120    2.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    4.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    4.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.3224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -3.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    6.4050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    7.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -7.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  2  0  0  0  0
  2 28  2  0  0  0  0
  3 34  1  0  0  0  0
  3 55  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 15  1  0  0  0  0
  5 11  1  0  0  0  0
  5 16  1  0  0  0  0
  5 38  1  0  0  0  0
  6 10  2  0  0  0  0
  6 17  1  0  0  0  0
  7 25  1  0  0  0  0
  7 28  1  0  0  0  0
  7 49  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 50  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 14  2  0  0  0  0
 12 14  1  0  0  0  0
 12 35  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 36  1  0  0  0  0
 15 17  2  0  0  0  0
 15 37  1  0  0  0  0
 16 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 39  1  0  0  0  0
 18 26  1  0  0  0  0
 18 40  1  0  0  0  0
 19 27  2  0  0  0  0
 19 41  1  0  0  0  0
 20 23  1  0  0  0  0
 20 42  1  0  0  0  0
 21 24  2  0  0  0  0
 21 43  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 22 28  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 29  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 27 48  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 51  1  0  0  0  0
 31 33  2  0  0  0  0
 31 52  1  0  0  0  0
 32 34  2  0  0  0  0
 32 53  1  0  0  0  0
 33 34  1  0  0  0  0
 33 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
57580725

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
798

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YIEAAAAAAFgB9AAAHgAQCAAADAzBnwQ99p/MGgCoAzd3dACCgC01MqAJ2KE+fNiIbvLCnZOUcQhs1hPI2aeY2QKeKAAAAAAAAABQAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(4-hydroxyphenyl)methyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(4-hydroxyphenyl)methyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)-8-imidazo[1,2-a]pyridinyl]amino]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(4-hydroxyphenyl)methyl]-4-[[5-(2-oxo-1<I>H</I>-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide

> <PUBCHEM_IUPAC_NAME>
N-[(4-hydroxyphenyl)methyl]-4-[[5-(2-oxo-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(4-hydroxyphenyl)methyl]-4-[[5-(2-oxidanylidene-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(4-hydroxybenzyl)-4-[[5-(2-keto-1H-pyridin-4-yl)imidazo[1,2-a]pyridin-8-yl]amino]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H21N5O3/c32-21-7-1-17(2-8-21)16-29-26(34)18-3-5-20(6-4-18)30-22-9-10-23(31-14-13-28-25(22)31)19-11-12-27-24(33)15-19/h1-15,30,32H,16H2,(H,27,33)(H,29,34)

> <PUBCHEM_IUPAC_INCHIKEY>
MJHCEIVPBUCHRQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
451.16443955

> <PUBCHEM_MOLECULAR_FORMULA>
C26H21N5O3

> <PUBCHEM_MOLECULAR_WEIGHT>
451.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1CNC(=O)C2=CC=C(C=C2)NC3=CC=C(N4C3=NC=C4)C5=CC(=O)NC=C5)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1CNC(=O)C2=CC=C(C=C2)NC3=CC=C(N4C3=NC=C4)C5=CC(=O)NC=C5)O

> <PUBCHEM_CACTVS_TPSA>
108

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
451.16443955

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <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>
10  11  8
11  14  8
12  14  8
13  18  8
13  19  8
15  17  8
16  20  8
16  21  8
18  26  8
19  27  8
20  23  8
21  24  8
22  23  8
22  24  8
29  30  8
29  31  8
30  32  8
31  33  8
32  34  8
33  34  8
4  10  8
4  15  8
4  9  8
6  10  8
6  17  8
8  26  8
8  27  8
9  12  8

$$$$