49789823
  -OEChem-05072414202D

 61 64  0     0  0  0  0  0  0999 V2000
   12.2546    0.9328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.9411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.9411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   -2.2458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8974    2.6276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1651    3.9906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.4411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0084   -0.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3191    0.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920   -1.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2976    0.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6082    1.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6512    1.0584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8759    2.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1866    3.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9404    2.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5867    1.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9619    2.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4757    4.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8329    3.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.1789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2120   -1.4411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -2.2511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7116    0.0589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0445    0.9306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8965    2.2142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4897    2.7465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1660    4.4040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5727    3.8717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1330    2.8045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5478    2.4704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4833    3.0891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.1789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -3.7511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0651    4.7485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6683    5.5304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8864    5.1337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3714    2.8322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2470    2.7848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2944    3.6604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -3.6311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.8689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  2  0  0  0  0
  2 29  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4  9  2  0  0  0  0
  4 14  1  0  0  0  0
  5 19  1  0  0  0  0
  5 22  1  0  0  0  0
  5 46  1  0  0  0  0
  6 20  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 12  1  0  0  0  0
  7 29  1  0  0  0  0
  7 48  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  2  0  0  0  0
  9 12  1  0  0  0  0
 10 16  2  0  0  0  0
 10 18  1  0  0  0  0
 11 13  2  0  0  0  0
 11 35  1  0  0  0  0
 12 15  2  0  0  0  0
 13 15  1  0  0  0  0
 13 24  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 17 21  2  0  0  0  0
 17 22  1  0  0  0  0
 18 23  2  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 23  1  0  0  0  0
 21 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  2  0  0  0  0
 24 47  1  0  0  0  0
 25 28  1  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 26 52  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
 27 55  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  1  0  0  0  0
 29 56  1  0  0  0  0
 30 32  1  0  0  0  0
 30 57  1  0  0  0  0
 31 33  2  0  0  0  0
 31 58  1  0  0  0  0
 32 34  2  0  0  0  0
 32 59  1  0  0  0  0
 33 34  1  0  0  0  0
 33 60  1  0  0  0  0
 34 61  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49789823

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
693

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAQAAAADAjBnwY/8J/MGACoAzd39ACCgC01EqAJ2KE4dNiIaPLAnZGUIQholgLIyacYicCeAAACAAAAAAAAAAQAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-[(E)-styryl]imidazo[1,2-a]pyridin-3-yl]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-[(E)-2-phenylethenyl]-3-imidazo[1,2-a]pyridinyl]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-(dimethylamino)ethyl]-3-[8-formamido-6-[(<I>E</I>)-2-phenylethenyl]imidazo[1,2-a]pyridin-3-yl]benzamide

> <PUBCHEM_IUPAC_NAME>
N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyridin-3-yl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyridin-3-yl]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-[(E)-styryl]imidazo[1,2-a]pyridin-3-yl]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H27N5O2/c1-31(2)14-13-28-27(34)23-10-6-9-22(16-23)25-17-29-26-24(30-19-33)15-21(18-32(25)26)12-11-20-7-4-3-5-8-20/h3-12,15-19H,13-14H2,1-2H3,(H,28,34)(H,30,33)/b12-11+

> <PUBCHEM_IUPAC_INCHIKEY>
IDHRSILOWGKPLX-VAWYXSNFSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
453.21647512

> <PUBCHEM_MOLECULAR_FORMULA>
C27H27N5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
453.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)CCNC(=O)C1=CC=CC(=C1)C2=CN=C3N2C=C(C=C3NC=O)C=CC4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)CCNC(=O)C1=CC=CC(=C1)C2=CN=C3N2C=C(C=C3NC=O)/C=C/C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
78.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
453.21647512

> <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>
1

> <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  16  8
10  18  8
11  13  8
12  15  8
13  15  8
16  17  8
17  21  8
18  23  8
21  23  8
28  30  8
28  31  8
3  11  8
3  8  8
3  9  8
30  32  8
31  33  8
32  34  8
33  34  8
4  14  8
4  9  8
8  14  8
9  12  8

$$$$