68329337
  -OEChem-05132419092D

 58 62  0     0  0  0  0  0  0999 V2000
    5.4641   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    6.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6065    1.4453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    6.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6065    3.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1901    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7991    3.6440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -4.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -4.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -2.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -3.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8101    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    4.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    4.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    6.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -6.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  2  0  0  0  0
  2 29  2  0  0  0  0
  3 35  1  0  0  0  0
  3 58  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 39  1  0  0  0  0
  6 10  2  0  0  0  0
  6 19  1  0  0  0  0
  7 18  1  0  0  0  0
  7 28  1  0  0  0  0
  7 49  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 55  1  0  0  0  0
  9 12  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 22  2  0  0  0  0
 14 23  1  0  0  0  0
 15 19  2  0  0  0  0
 15 38  1  0  0  0  0
 16 24  2  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 26  2  0  0  0  0
 20 27  1  0  0  0  0
 20 28  1  0  0  0  0
 21 31  2  0  0  0  0
 21 32  1  0  0  0  0
 22 29  1  0  0  0  0
 22 45  1  0  0  0  0
 23 30  2  0  0  0  0
 23 46  1  0  0  0  0
 24 26  1  0  0  0  0
 24 47  1  0  0  0  0
 25 27  2  0  0  0  0
 25 48  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 30 52  1  0  0  0  0
 31 33  1  0  0  0  0
 31 53  1  0  0  0  0
 32 34  2  0  0  0  0
 32 54  1  0  0  0  0
 33 35  2  0  0  0  0
 33 56  1  0  0  0  0
 34 35  1  0  0  0  0
 34 57  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68329337

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
814

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YIEAAAAAAFgB9AAAHgAQCAAADAzBnwQ99p/MGgCoAzd3dACCgC01MqAJ2KE+fNiIbvLCnZOUcQhs1hPI2aeYyYCeKAAAAAAAAABQAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H23N5O3/c33-22-7-1-18(2-8-22)11-13-30-27(35)19-3-5-21(6-4-19)31-23-9-10-24(32-16-15-29-26(23)32)20-12-14-28-25(34)17-20/h1-10,12,14-17,31,33H,11,13H2,(H,28,34)(H,30,35)

> <PUBCHEM_IUPAC_INCHIKEY>
XIMAZRFHELECCY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
465.18008961

> <PUBCHEM_MOLECULAR_FORMULA>
C27H23N5O3

> <PUBCHEM_MOLECULAR_WEIGHT>
465.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1CCNC(=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=C1CCNC(=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>
465.18008961

> <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>
10  11  8
11  13  8
12  13  8
14  22  8
14  23  8
15  19  8
16  24  8
16  25  8
20  26  8
20  27  8
21  31  8
21  32  8
22  29  8
23  30  8
24  26  8
25  27  8
31  33  8
32  34  8
33  35  8
34  35  8
4  10  8
4  15  8
4  9  8
6  10  8
6  19  8
8  29  8
8  30  8
9  12  8

$$$$