60555138
  -OEChem-05132407572D

 59 62  0     1  0  0  0  0  0999 V2000
    7.1962    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1962    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    2.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -3.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    4.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    6.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 14  2  0  0  0  0
  3 24  2  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  4 37  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 38  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  6 50  1  0  0  0  0
  7 28  1  0  0  0  0
  7 34  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 36  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 15  1  0  0  0  0
 11 19  2  0  0  0  0
 12 17  1  0  0  0  0
 12 39  1  0  0  0  0
 13 18  2  0  0  0  0
 13 40  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 15 41  1  0  0  0  0
 16 22  1  0  0  0  0
 16 24  1  0  0  0  0
 17 21  2  0  0  0  0
 17 42  1  0  0  0  0
 18 21  1  0  0  0  0
 18 43  1  0  0  0  0
 19 23  1  0  0  0  0
 19 44  1  0  0  0  0
 20 26  2  0  0  0  0
 20 27  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  2  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 25 28  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 29  1  0  0  0  0
 26 51  1  0  0  0  0
 27 30  2  0  0  0  0
 27 52  1  0  0  0  0
 28 32  2  0  0  0  0
 29 31  2  0  0  0  0
 29 53  1  0  0  0  0
 30 31  1  0  0  0  0
 30 54  1  0  0  0  0
 31 55  1  0  0  0  0
 32 33  1  0  0  0  0
 32 56  1  0  0  0  0
 33 35  2  0  0  0  0
 33 57  1  0  0  0  0
 34 35  1  0  0  0  0
 34 58  1  0  0  0  0
 35 59  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60555138

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
702

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAAAB1AAAHgAQAAAADCjBngQ8wJLIEACoAzV3VACCgCA1AiAI2KG4ZNgIYPLAlbGUIQhglgDIyYcciICOAAAAQAAAAAAAAACAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[(2-benzamido-2-phenyl-acetyl)amino]-N-(2-pyridylmethyl)benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-[(2-benzamido-1-oxo-2-phenylethyl)amino]-N-(2-pyridinylmethyl)benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[(2-benzamido-2-phenylacetyl)amino]-<I>N</I>-(pyridin-2-ylmethyl)benzamide

> <PUBCHEM_IUPAC_NAME>
3-[(2-benzamido-2-phenylacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[(2-benzamido-2-phenyl-ethanoyl)amino]-N-(pyridin-2-ylmethyl)benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[(2-benzamido-2-phenyl-acetyl)amino]-N-(2-pyridylmethyl)benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C28H24N4O3/c33-26(30-19-24-15-7-8-17-29-24)22-14-9-16-23(18-22)31-28(35)25(20-10-3-1-4-11-20)32-27(34)21-12-5-2-6-13-21/h1-18,25H,19H2,(H,30,33)(H,31,35)(H,32,34)

> <PUBCHEM_IUPAC_INCHIKEY>
CPWYIJQDQKTFGU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
464.18484064

> <PUBCHEM_MOLECULAR_FORMULA>
C28H24N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
464.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C(C(=O)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=N3)NC(=O)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C(C(=O)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=N3)NC(=O)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
100

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
464.18484064

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
11  15  8
11  19  8
12  17  8
13  18  8
15  16  8
16  22  8
17  21  8
18  21  8
19  23  8
20  26  8
20  27  8
22  23  8
26  29  8
27  30  8
28  32  8
29  31  8
30  31  8
32  33  8
33  35  8
34  35  8
7  28  8
7  34  8
8  10  3
9  12  8
9  13  8

$$$$