59374314
  -OEChem-05072414032D

 54 57  0     1  0  0  0  0  0999 V2000
    2.8660    3.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.4400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0600    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    2.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    1.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894    0.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880   -0.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    1.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    2.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -2.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292   -1.1300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 15  1  0  0  0  0
  2 13  2  0  0  0  0
  3 16  1  0  0  0  0
  3 20  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 16  1  0  0  0  0
  5 19  2  0  0  0  0
  6 23  1  0  0  0  0
  6 26  1  0  0  0  0
  6 50  1  0  0  0  0
  7 26  1  0  0  0  0
  7 29  2  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 12  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 17 18  2  0  0  0  0
 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 24  1  0  0  0  0
 21 46  1  0  0  0  0
 22 25  2  0  0  0  0
 22 47  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 51  1  0  0  0  0
 28 30  2  0  0  0  0
 28 52  1  0  0  0  0
 29 30  1  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59374314

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
541

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8WLEAAAAAAAAB8AAAHgAQAAAADBzhmgY/9pPIFACoAjd3dACCiCk1IiAJ2CE+bNiOJv7E/ZuPOeju9hPY6ee4UQAMAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3-methoxy-1-piperidyl)-[2-[4-(2-pyridylamino)phenoxy]-3-pyridyl]methanone

> <PUBCHEM_IUPAC_CAS_NAME>
(3-methoxy-1-piperidinyl)-[2-[4-(2-pyridinylamino)phenoxy]-3-pyridinyl]methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3-methoxypiperidin-1-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]pyridin-3-yl]methanone

> <PUBCHEM_IUPAC_NAME>
(3-methoxypiperidin-1-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]pyridin-3-yl]methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3-methoxypiperidin-1-yl)-[2-[4-(pyridin-2-ylamino)phenoxy]pyridin-3-yl]methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3-methoxypiperidino)-[2-[4-(2-pyridylamino)phenoxy]-3-pyridyl]methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H24N4O3/c1-29-19-6-5-15-27(16-19)23(28)20-7-4-14-25-22(20)30-18-11-9-17(10-12-18)26-21-8-2-3-13-24-21/h2-4,7-14,19H,5-6,15-16H2,1H3,(H,24,26)

> <PUBCHEM_IUPAC_INCHIKEY>
VBMBLEBVOTXJTF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
404.18484064

> <PUBCHEM_MOLECULAR_FORMULA>
C23H24N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
404.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1CCCN(C1)C(=O)C2=C(N=CC=C2)OC3=CC=C(C=C3)NC4=CC=CC=N4

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1CCCN(C1)C(=O)C2=C(N=CC=C2)OC3=CC=C(C=C3)NC4=CC=CC=N4

> <PUBCHEM_CACTVS_TPSA>
76.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
404.18484064

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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>
8  1  3
14  16  8
14  17  8
17  18  8
18  19  8
20  21  8
20  22  8
21  24  8
22  25  8
23  24  8
23  25  8
26  27  8
27  28  8
28  30  8
29  30  8
5  16  8
5  19  8
7  26  8
7  29  8

$$$$