68051178
  -OEChem-05142414152D

 54 58  0     0  0  0  0  0  0999 V2000
    9.8222    4.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    2.9618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611    3.1498    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.5173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8222    2.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    4.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2549    3.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2662    4.0575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4176    1.9782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2158    1.9690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.8627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    1.1727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    4.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.1027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2639    2.6498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3391    3.8974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9373    4.5872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6690    4.4159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.2927    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9562    4.5945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.2073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.2073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.8273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460   -4.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860   -4.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.4804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -3.5543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 20  1  0  0  0  0
  2 29  2  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  3 21  1  0  0  0  0
  4 11  1  0  0  0  0
  4 20  1  0  0  0  0
  4 39  1  0  0  0  0
  5 15  1  0  0  0  0
  5 23  1  0  0  0  0
  5 43  1  0  0  0  0
  6 13  2  0  0  0  0
  6 22  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  2  0  0  0  0
  9 12  2  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  2  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 15  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 19  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  2  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  2  0  0  0  0
 21 42  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 27  1  0  0  0  0
 24 45  1  0  0  0  0
 25 28  2  0  0  0  0
 25 46  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
 31 52  1  0  0  0  0
 31 53  1  0  0  0  0
 31 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68051178

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
623

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFix9AAAHgAQAAAADAzBnwY/9p/MHACoAzd3dACCiC01MqAJ2KE+fNmMbvLEvZucMShu0hPI6aeY2eOeKAACAAAIAABQAAQAABAAAAAAAAAAAA==

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

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

> <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>,<I>N</I>-dimethylbenzamide

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H23N5O2/c1-28(2)24(30)16-3-6-19(7-4-16)27-20-8-9-21(29-12-11-26-23(20)29)17-5-10-22-18(13-17)14-25-15-31-22/h3-13,25,27H,14-15H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
HBDAUHNIJQWPJU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
413.18517499

> <PUBCHEM_MOLECULAR_FORMULA>
C24H23N5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
413.5

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

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

> <PUBCHEM_CACTVS_TPSA>
70.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
413.18517499

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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  12  8
10  14  8
13  15  8
14  18  8
15  19  8
16  19  8
17  18  8
21  22  8
23  24  8
23  25  8
24  27  8
25  28  8
26  27  8
26  28  8
3  13  8
3  21  8
3  8  8
6  13  8
6  22  8
8  16  8
9  12  8
9  17  8

$$$$