58342094
  -OEChem-05132422232D

 43 46  0     0  0  0  0  0  0999 V2000
   10.1279   -1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6279   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.4387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1279    0.3660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    1.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6279    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6279    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6279   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1279    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1279   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1279    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1279   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6279   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369    1.7601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.2540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.4440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179   -1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3179    1.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379   -1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9379    1.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    1.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.8291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4379    0.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8179    0.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8179   -1.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4379    0.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4379   -1.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9379   -1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  2  0  0  0  0
  2 26  1  0  0  0  0
  2 43  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  5 16  1  0  0  0  0
  5 20  1  0  0  0  0
  5 38  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 27  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  2  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 17  1  0  0  0  0
 14 31  1  0  0  0  0
 15 18  2  0  0  0  0
 15 32  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 39  1  0  0  0  0
 23 25  2  0  0  0  0
 23 40  1  0  0  0  0
 24 26  2  0  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
58342094

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
484

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAQCAAADAzBnwQ/9p/MGgCoAzd3dACCgC01MqAJ2CE+fNiIbvLCnZOUcQhs1BPI2aeY3ILOKAAAAAAAAABQAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-hydroxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-hydroxy-N-[4-(6-methyl-2-imidazo[1,2-a]pyridinyl)phenyl]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-hydroxy-<I>N</I>-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

> <PUBCHEM_IUPAC_NAME>
4-hydroxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-oxidanyl-benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-hydroxy-N-[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H17N3O2/c1-14-2-11-20-23-19(13-24(20)12-14)15-3-7-17(8-4-15)22-21(26)16-5-9-18(25)10-6-16/h2-13,25H,1H3,(H,22,26)

> <PUBCHEM_IUPAC_INCHIKEY>
VBLMDOVNEJNEPE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.3

> <PUBCHEM_EXACT_MASS>
343.132076794

> <PUBCHEM_MOLECULAR_FORMULA>
C21H17N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
343.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CN2C=C(N=C2C=C1)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CN2C=C(N=C2C=C1)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)O

> <PUBCHEM_CACTVS_TPSA>
66.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
343.132076794

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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  17  8
15  18  8
16  17  8
16  18  8
21  22  8
21  23  8
22  24  8
23  25  8
24  26  8
25  26  8
3  10  8
3  7  8
3  8  8
4  6  8
4  7  8
6  8  8
7  12  8
9  14  8
9  15  8

$$$$