56592259
  -OEChem-05102417022D

 61 65  0     0  0  0  0  0  0999 V2000
    7.8435    0.6146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6174   -0.4096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892    3.5532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9105    1.6521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531   -3.7594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5695   -2.9547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8314   -3.4547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6213    2.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2677    3.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9320    1.8584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5783    2.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9785    4.5037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2212    0.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1997    0.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5533   -0.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8425   -1.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531   -2.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0994   -3.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9654   -1.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8314   -2.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9654   -3.9547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9493   -0.9132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8425   -4.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7414   -1.9478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8474   -0.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7494   -0.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7076    1.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4815   -0.9129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2388    3.2968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0744    2.5169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8815    3.4343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2882    3.9666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3182    1.7710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9114    1.2387    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9609    1.9085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1253    2.6885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5923    4.5910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9991    5.1234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6137    0.9569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9466    0.0852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279    5.3166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933    4.8378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8721    4.1032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1170   -0.5830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4499   -1.4547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9654   -4.5747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4088   -0.6094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2532   -4.5173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6499   -5.2992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4318   -4.9025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2747   -2.2640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0197    0.5822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2433    1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3955    1.6536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1694   -1.4486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0172   -1.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7935   -0.3772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  1 31  1  0  0  0  0
  2 30  1  0  0  0  0
  2 32  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 27  1  0  0  0  0
  6 18  2  0  0  0  0
  7 24  1  0  0  0  0
  7 25  2  0  0  0  0
  8 10  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 11  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 16  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 20  1  0  0  0  0
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 15 21  2  0  0  0  0
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 16 47  1  0  0  0  0
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 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
 28 30  1  0  0  0  0
 28 55  1  0  0  0  0
 29 30  2  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
 32 59  1  0  0  0  0
 32 60  1  0  0  0  0
 32 61  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56592259

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
607

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFix/gAAHgAIAAAADAzBngY+xvMIFACiAzRnRACSjCQxsiAY2CA+/JgNZuLE8duUtCpmyBnK6Aew0PMOqEABAgACQABQgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methyl-pyrazolo[3,4-c]quinoline

> <PUBCHEM_IUPAC_CAS_NAME>
1-[4-(4-ethyl-1-piperazinyl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline

> <PUBCHEM_IUPAC_NAME>
1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methylpyrazolo[3,4-c]quinoline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[4-(4-ethylpiperazin-1-yl)phenyl]-7,8-dimethoxy-3-methyl-pyrazolo[3,4-c]quinoline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[4-(4-ethylpiperazino)phenyl]-7,8-dimethoxy-3-methyl-pyrazolo[3,4-c]quinoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H29N5O2/c1-5-29-10-12-30(13-11-29)18-8-6-17(7-9-18)25-24-19-14-22(31-3)23(32-4)15-20(19)26-16-21(24)28(2)27-25/h6-9,14-16H,5,10-13H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
GDBPBUTUEIIINY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
431.23212518

> <PUBCHEM_MOLECULAR_FORMULA>
C25H29N5O2

> <PUBCHEM_MOLECULAR_WEIGHT>
431.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN1CCN(CC1)C2=CC=C(C=C2)C3=NN(C4=C3C5=CC(=C(C=C5N=C4)OC)OC)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN1CCN(CC1)C2=CC=C(C=C2)C3=NN(C4=C3C5=CC(=C(C=C5N=C4)OC)OC)C

> <PUBCHEM_CACTVS_TPSA>
55.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
431.23212518

> <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>
13  14  8
13  15  8
14  20  8
15  21  8
17  20  8
17  21  8
18  19  8
19  22  8
19  23  8
22  25  8
23  24  8
23  26  8
24  28  8
26  29  8
28  30  8
29  30  8
5  22  8
5  6  8
6  18  8
7  24  8
7  25  8

$$$$