68051268
  -OEChem-04262422422D

 58 62  0     0  0  0  0  0  0999 V2000
   10.6882    5.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    3.9618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7271    4.1498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6882    3.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    5.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1209    4.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1322    5.0575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2836    2.9782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0818    2.9690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.8627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.1727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    5.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    6.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.3627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1300    3.6498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2051    4.8974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8033    5.5872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5350    5.4159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    2.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8222    5.5945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.7927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -4.0999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -3.4097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.2073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -3.4347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -4.1250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -4.9804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -6.0543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 21  1  0  0  0  0
  2 30  2  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4  9  1  0  0  0  0
  4 14  1  0  0  0  0
  4 22  1  0  0  0  0
  5 12  1  0  0  0  0
  5 21  1  0  0  0  0
  5 41  1  0  0  0  0
  6 16  1  0  0  0  0
  6 24  1  0  0  0  0
  6 45  1  0  0  0  0
  7 14  2  0  0  0  0
  7 23  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  8 53  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  2  0  0  0  0
 10 13  2  0  0  0  0
 10 18  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  2  0  0  0  0
 17 20  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  2  0  0  0  0
 22 44  1  0  0  0  0
 23 46  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 28  1  0  0  0  0
 25 47  1  0  0  0  0
 26 29  2  0  0  0  0
 26 48  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 49  1  0  0  0  0
 29 50  1  0  0  0  0
 31 32  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
 32 54  1  0  0  0  0
 32 55  1  0  0  0  0
 33 56  1  0  0  0  0
 33 57  1  0  0  0  0
 33 58  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68051268

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
644

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFix9AAAHgAQAAAADAzhnwY/9p/MHACoAzd3dACCiC01MqAJ2KE+fNmObvLEvZudMShu1hPY6aeY2eOeKAACAAAIAABQAAQAABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[[5-(3,4-dihydro-2H-1,3-benzoxazin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(2-methoxyethyl)benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-[[5-(3,4-dihydro-2H-1,3-benzoxazin-6-yl)-8-imidazo[1,2-a]pyridinyl]amino]-N-(2-methoxyethyl)benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[[5-(3,4-dihydro-2<I>H</I>-1,3-benzoxazin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]-<I>N</I>-(2-methoxyethyl)benzamide

> <PUBCHEM_IUPAC_NAME>
4-[[5-(3,4-dihydro-2H-1,3-benzoxazin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(2-methoxyethyl)benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[[5-(3,4-dihydro-2H-1,3-benzoxazin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(2-methoxyethyl)benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[[5-(3,4-dihydro-2H-1,3-benzoxazin-6-yl)imidazo[1,2-a]pyridin-8-yl]amino]-N-(2-methoxyethyl)benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H25N5O3/c1-32-13-11-28-25(31)17-2-5-20(6-3-17)29-21-7-8-22(30-12-10-27-24(21)30)18-4-9-23-19(14-18)15-26-16-33-23/h2-10,12,14,26,29H,11,13,15-16H2,1H3,(H,28,31)

> <PUBCHEM_IUPAC_INCHIKEY>
FZXJUONDTQWIJQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
443.19573968

> <PUBCHEM_MOLECULAR_FORMULA>
C25H25N5O3

> <PUBCHEM_MOLECULAR_WEIGHT>
443.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COCCNC(=O)C1=CC=C(C=C1)NC2=CC=C(N3C2=NC=C3)C4=CC5=C(C=C4)OCNC5

> <PUBCHEM_OPENEYE_ISO_SMILES>
COCCNC(=O)C1=CC=C(C=C1)NC2=CC=C(N3C2=NC=C3)C4=CC5=C(C=C4)OCNC5

> <PUBCHEM_CACTVS_TPSA>
88.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
443.19573968

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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  13  8
10  18  8
11  13  8
11  15  8
14  16  8
15  19  8
16  20  8
17  20  8
18  19  8
22  23  8
24  25  8
24  26  8
25  28  8
26  29  8
27  28  8
27  29  8
4  14  8
4  22  8
4  9  8
7  14  8
7  23  8
9  17  8

$$$$