70144197
  -OEChem-04252402462D

 44 47  0     0  0  0  0  0  0999 V2000
   11.2619    1.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.4273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619    0.3660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7619   -1.3660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    1.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    2.0981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7619   -1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619   -2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    2.6261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8445    1.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1542    1.8426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -0.1709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    2.6350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719   -0.1709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719    2.6350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.8521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3879    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4519   -0.1709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.4221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5719    0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1419   -1.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9519   -2.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5719   -2.7690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0719   -1.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0719   -0.8291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  2  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 16  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  2  0  0  0  0
  4 11  1  0  0  0  0
  4 20  1  0  0  0  0
  4 36  1  0  0  0  0
  5 24  1  0  0  0  0
  5 43  1  0  0  0  0
  5 44  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  2  0  0  0  0
  8 11  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 17  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 14  1  0  0  0  0
 12 30  1  0  0  0  0
 13 15  2  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 18  2  0  0  0  0
 16 34  1  0  0  0  0
 17 19  2  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  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
 25 26  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70144197

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
477

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAQAAAADAjBnwQ98J/MGACoAzd3dACCgC01EqAJ2KE4dNiIaPLAnZGUIQholgLIyacciMCOQAAAQAAAAACAAACAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-amino-N-[(4-imidazo[1,2-a]pyridin-2-ylphenyl)methyl]benzamide

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-amino-<I>N</I>-[(4-imidazo[1,2-a]pyridin-2-ylphenyl)methyl]benzamide

> <PUBCHEM_IUPAC_NAME>
3-amino-N-[(4-imidazo[1,2-a]pyridin-2-ylphenyl)methyl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-azanyl-N-[(4-imidazo[1,2-a]pyridin-2-ylphenyl)methyl]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-amino-N-(4-imidazo[1,2-a]pyridin-2-ylbenzyl)benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C21H18N4O/c22-18-5-3-4-17(12-18)21(26)23-13-15-7-9-16(10-8-15)19-14-25-11-2-1-6-20(25)24-19/h1-12,14H,13,22H2,(H,23,26)

> <PUBCHEM_IUPAC_INCHIKEY>
IJRZIHGOZHWBQC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
342.14806121

> <PUBCHEM_MOLECULAR_FORMULA>
C21H18N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
342.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC2=NC(=CN2C=C1)C3=CC=C(C=C3)CNC(=O)C4=CC(=CC=C4)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC2=NC(=CN2C=C1)C3=CC=C(C=C3)CNC(=O)C4=CC(=CC=C4)N

> <PUBCHEM_CACTVS_TPSA>
72.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
342.14806121

> <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>
12  14  8
13  15  8
16  18  8
17  19  8
18  19  8
2  10  8
2  16  8
2  9  8
21  22  8
21  23  8
22  24  8
23  25  8
24  26  8
25  26  8
3  7  8
3  9  8
6  12  8
6  13  8
7  10  8
8  14  8
8  15  8
9  17  8

$$$$