59026364
  -OEChem-05132404372D

 57 61  0     0  0  0  0  0  0999 V2000
   14.3250    1.4367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.1632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3633    1.8265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9446    0.8714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1331    1.4457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561   -2.1978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.6840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0225    2.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6850    0.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3825    2.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0033    2.3836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6658    0.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7425    1.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7233    1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4208    2.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0609    2.9683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0800    3.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561   -0.1285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4269    2.3954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.1632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2471    3.1564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4924    2.9000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0722    0.7852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6716    0.2598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6161    2.4780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0167    3.0034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4412    0.1069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1959    0.3632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9227    0.6824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4696    3.4345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8806    3.7502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0550    2.8914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.4568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979   -0.3303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.7832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -1.1381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -1.1381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    0.3118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    0.3118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441   -3.1632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.7832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841   -3.1632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.3738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.1468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.7001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2 26  1  0  0  0  0
  2 29  1  0  0  0  0
  3 28  1  0  0  0  0
  3 31  1  0  0  0  0
  4 30  1  0  0  0  0
  4 32  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  2  0  0  0  0
  8  9  2  0  0  0  0
  8 23  1  0  0  0  0
  9 25  1  0  0  0  0
 10 13  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 14  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 16  2  0  0  0  0
 12 18  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 41  1  0  0  0  0
 17 19  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  2  0  0  0  0
 18 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 22  1  0  0  0  0
 20 25  2  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 27  2  0  0  0  0
 24 26  1  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 27 47  1  0  0  0  0
 29 30  1  0  0  0  0
 29 48  1  0  0  0  0
 29 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
 32 55  1  0  0  0  0
 32 56  1  0  0  0  0
 32 57  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59026364

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
595

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFix/gAAHgAIAAAADAzhngY+xvMIBACiAzRnRACSDCAhsgAYmCA+/JgPZuLE8duXvCrmyBna6Aew0LMOKEABAgQCQABQgAIECASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[1-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]indazol-6-yl]morpholine

> <PUBCHEM_IUPAC_CAS_NAME>
4-[1-[7-methoxy-6-(2-methoxyethoxy)-4-cinnolinyl]-6-indazolyl]morpholine

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[1-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]indazol-6-yl]morpholine

> <PUBCHEM_IUPAC_NAME>
4-[1-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]indazol-6-yl]morpholine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[1-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]indazol-6-yl]morpholine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[1-[7-methoxy-6-(2-methoxyethoxy)cinnolin-4-yl]indazol-6-yl]morpholine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H25N5O4/c1-29-9-10-32-23-12-18-19(13-22(23)30-2)26-24-15-21(18)28-20-11-17(4-3-16(20)14-25-28)27-5-7-31-8-6-27/h3-4,11-15H,5-10H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
IKYKNQYAXIKGTB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
435.19065430

> <PUBCHEM_MOLECULAR_FORMULA>
C23H25N5O4

> <PUBCHEM_MOLECULAR_WEIGHT>
435.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COCCOC1=C(C=C2C(=C1)C(=CN=N2)N3C4=C(C=CC(=C4)N5CCOCC5)C=N3)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COCCOC1=C(C=C2C(=C1)C(=CN=N2)N3C4=C(C=CC(=C4)N5CCOCC5)C=N3)OC

> <PUBCHEM_CACTVS_TPSA>
83.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
435.19065430

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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  16  8
12  18  8
15  16  8
15  17  8
17  19  8
17  21  8
18  19  8
20  22  8
20  25  8
22  23  8
22  24  8
23  27  8
24  26  8
26  28  8
27  28  8
6  15  8
6  7  8
7  21  8
8  23  8
8  9  8
9  25  8

$$$$