68482612
  -OEChem-04252413212D

 49 52  0     0  0  0  0  0  0999 V2000
   10.3312    0.8100    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -1.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6793   -0.3853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6793   -1.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2629   -1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -1.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675   -1.1650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    0.7023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471    1.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924   -0.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909   -0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    1.7850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8719   -2.5840    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8829   -1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    3.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6412    2.2731    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8681    3.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0212    3.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 11  1  0  0  0  0
  2 37  1  0  0  0  0
  2 38  1  0  0  0  0
  3  5  1  0  0  0  0
  3 17  1  0  0  0  0
  3 19  1  0  0  0  0
  4 15  1  0  0  0  0
  4 18  1  0  0  0  0
  4 39  1  0  0  0  0
  5 16  2  0  0  0  0
  6 16  1  0  0  0  0
  6 40  1  0  0  0  0
  6 41  1  0  0  0  0
  7 17  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  8 27  1  0  0  0  0
  9 12  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 13  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  2  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 23  1  0  0  0  0
 21 44  1  0  0  0  0
 22 24  2  0  0  0  0
 22 45  1  0  0  0  0
 23 25  2  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68482612

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
471

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7gQAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB8AAAHQAYAAAADSjBGww/8J7IEACiAjZnZACShC8xkqAd2KA4dJiIaGLA2dGUpAh4mALIyCcQgMAOiAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-(4-aminocyclohexyl)-N8-(3-fluoro-4-methyl-phenyl)imidazo[1,2-b]pyridazine-6,8-diamine

> <PUBCHEM_IUPAC_CAS_NAME>
7-(4-aminocyclohexyl)-N8-(3-fluoro-4-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-(4-aminocyclohexyl)-8-<I>N</I>-(3-fluoro-4-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine

> <PUBCHEM_IUPAC_NAME>
7-(4-aminocyclohexyl)-8-N-(3-fluoro-4-methylphenyl)imidazo[1,2-b]pyridazine-6,8-diamine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-(4-azanylcyclohexyl)-N8-(3-fluoranyl-4-methyl-phenyl)imidazo[1,2-b]pyridazine-6,8-diamine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[6-amino-7-(4-aminocyclohexyl)imidazo[1,2-b]pyridazin-8-yl]-(3-fluoro-4-methyl-phenyl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H23FN6/c1-11-2-7-14(10-15(11)20)24-17-16(12-3-5-13(21)6-4-12)18(22)25-26-9-8-23-19(17)26/h2,7-10,12-13,24H,3-6,21H2,1H3,(H2,22,25)

> <PUBCHEM_IUPAC_INCHIKEY>
ZRSDKWGHFFAAGY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
354.19682292

> <PUBCHEM_MOLECULAR_FORMULA>
C19H23FN6

> <PUBCHEM_MOLECULAR_WEIGHT>
354.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=C(C=C1)NC2=C(C(=NN3C2=NC=C3)N)C4CCC(CC4)N)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=C(C=C1)NC2=C(C(=NN3C2=NC=C3)N)C4CCC(CC4)N)F

> <PUBCHEM_CACTVS_TPSA>
94.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
354.19682292

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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  16  8
15  17  8
18  21  8
18  22  8
19  20  8
21  23  8
22  24  8
23  25  8
24  25  8
3  17  8
3  19  8
3  5  8
5  16  8
7  17  8
7  20  8

$$$$