59026350
  -OEChem-04262414282D

 58 62  0     0  0  0  0  0  0999 V2000
   11.7201    2.3137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.5697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.0697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9446   -0.5351    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1331    0.0392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561   -3.6043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -3.0905    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7425    0.0578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561   -1.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4208    1.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7233   -0.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0800    1.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4269    0.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0609    1.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3825    0.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -2.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7009    2.1188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3601    2.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3409    2.6759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0384    3.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0001    3.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6976    4.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6785    4.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9227   -0.7241    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.9497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8806    2.3437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0550    1.4849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9906    0.4941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979   -1.7368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.1897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4763    1.5410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2310    1.7973    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -2.5446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -2.5446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -1.0947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -1.0947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5403    2.0889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4303    3.9385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441   -4.5697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.1897    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841   -4.5697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6082    3.3071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4982    5.1567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0872    4.8410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.0327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.2597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.1066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 24  1  0  0  0  0
  2 19  1  0  0  0  0
  2 25  1  0  0  0  0
  3 23  1  0  0  0  0
  3 30  1  0  0  0  0
  4 27  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 17  2  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8 21  1  0  0  0  0
  9 12  2  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 21  2  0  0  0  0
 11 13  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 22  2  0  0  0  0
 14 20  2  0  0  0  0
 14 35  1  0  0  0  0
 15 19  1  0  0  0  0
 15 36  1  0  0  0  0
 16 18  2  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 20  1  0  0  0  0
 19 23  2  0  0  0  0
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 34 58  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
59026350

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
622

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAAAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAFix/gAAHgAIAAAADAzhngY+xvIIBACiAzRnRACSDCAhsgAYmCA2/JgNZuLE8duWvCrmyBnK6Aew0LMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(5-benzyloxyindazol-1-yl)-7-methoxy-6-(2-methoxyethoxy)cinnoline

> <PUBCHEM_IUPAC_CAS_NAME>
7-methoxy-6-(2-methoxyethoxy)-4-(5-phenylmethoxy-1-indazolyl)cinnoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-methoxy-6-(2-methoxyethoxy)-4-(5-phenylmethoxyindazol-1-yl)cinnoline

> <PUBCHEM_IUPAC_NAME>
7-methoxy-6-(2-methoxyethoxy)-4-(5-phenylmethoxyindazol-1-yl)cinnoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-methoxy-6-(2-methoxyethoxy)-4-(5-phenylmethoxyindazol-1-yl)cinnoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(5-benzoxyindazol-1-yl)-7-methoxy-6-(2-methoxyethoxy)cinnoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H24N4O4/c1-31-10-11-33-26-13-21-22(14-25(26)32-2)29-27-16-24(21)30-23-9-8-20(12-19(23)15-28-30)34-17-18-6-4-3-5-7-18/h3-9,12-16H,10-11,17H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
BSSLQVQZIWKCHF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
456.17975526

> <PUBCHEM_MOLECULAR_FORMULA>
C26H24N4O4

> <PUBCHEM_MOLECULAR_WEIGHT>
456.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COCCOC1=C(C=C2C(=C1)C(=CN=N2)N3C4=C(C=C(C=C4)OCC5=CC=CC=C5)C=N3)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COCCOC1=C(C=C2C(=C1)C(=CN=N2)N3C4=C(C=C(C=C4)OCC5=CC=CC=C5)C=N3)OC

> <PUBCHEM_CACTVS_TPSA>
80.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
456.17975526

> <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>
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>
10  11  8
10  21  8
11  13  8
11  15  8
12  16  8
12  17  8
13  22  8
14  20  8
15  19  8
16  18  8
18  20  8
19  23  8
22  23  8
26  28  8
26  29  8
28  31  8
29  32  8
31  33  8
32  33  8
5  6  8
5  9  8
6  17  8
7  13  8
7  8  8
8  21  8
9  12  8
9  14  8

$$$$