69193077
  -OEChem-04262415272D

 58 62  0     0  0  0  0  0  0999 V2000
    5.4641   -1.8770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.8770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.3770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7584    2.3962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1152    4.2899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9446   -0.8424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1331   -0.2681    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561   -3.9116    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -3.3978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4176    3.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7776    2.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0960    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4560    3.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0800    1.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4208    0.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0609    1.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4269    0.6816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7233   -0.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3825    0.3076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9561   -1.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -2.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8058    2.6647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9611    3.4465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1648    2.4966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7642    1.9712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7087    4.1895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1094    4.7149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0678    4.0214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9124    3.2396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9157    4.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4696    1.7207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0550    1.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9227   -1.0315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9906    0.1867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3979   -2.0441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.2570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -4.4970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -2.8519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966   -2.8519    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -1.4020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -1.4020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8441   -4.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -5.4970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0841   -4.8770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.3400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.5670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -2.4139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 29  1  0  0  0  0
  2 28  1  0  0  0  0
  2 31  1  0  0  0  0
  3 30  1  0  0  0  0
  3 32  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  5 41  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  6 21  1  0  0  0  0
  7 18  2  0  0  0  0
  8  9  2  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  2  0  0  0  0
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 30 51  1  0  0  0  0
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 31 53  1  0  0  0  0
 31 54  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
69193077

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
594

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFix/gAAHgAYAAAADAzhngY+xvPIBACiAzRnRACSDCAhsgAYmKA+/JgNZuLE8duWvCrm2BnK6Aew0LMOIEABAgQCQABAgAIECASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-methoxy-6-(2-methoxyethoxy)-4-(4-piperazin-1-ylindazol-1-yl)cinnoline

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-methoxy-6-(2-methoxyethoxy)-4-(4-piperazin-1-ylindazol-1-yl)cinnoline

> <PUBCHEM_IUPAC_NAME>
7-methoxy-6-(2-methoxyethoxy)-4-(4-piperazin-1-ylindazol-1-yl)cinnoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-methoxy-6-(2-methoxyethoxy)-4-(4-piperazin-1-ylindazol-1-yl)cinnoline

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H26N6O3/c1-30-10-11-32-23-12-16-18(13-22(23)31-2)27-25-15-21(16)29-20-5-3-4-19(17(20)14-26-29)28-8-6-24-7-9-28/h3-5,12-15,24H,6-11H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
SMWOORBCRUEWPI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
434.20663871

> <PUBCHEM_MOLECULAR_FORMULA>
C23H26N6O3

> <PUBCHEM_MOLECULAR_WEIGHT>
434.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COCCOC1=C(C=C2C(=C1)C(=CN=N2)N3C4=C(C=N3)C(=CC=C4)N5CCNCC5)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COCCOC1=C(C=C2C(=C1)C(=CN=N2)N3C4=C(C=N3)C(=CC=C4)N5CCNCC5)OC

> <PUBCHEM_CACTVS_TPSA>
86.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
434.20663871

> <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>
14  15  8
14  17  8
15  16  8
15  18  8
16  19  8
17  20  8
19  20  8
21  22  8
21  24  8
22  23  8
22  25  8
23  27  8
25  26  8
26  28  8
27  28  8
6  16  8
6  7  8
7  18  8
8  23  8
8  9  8
9  24  8

$$$$