
 CHEMBL2079788

 76 80  0  0  0  0  0  0  0  0999 V2000
    1.1838    0.8693    0.1050 C   0  0  0  0  0
    2.6931    0.8637    0.2968 C   0  0  0  0  0
    3.3960    1.5942   -0.8446 C   0  0  0  0  0
    4.8833    1.5619   -0.6934 C   0  0  0  0  0
    5.6240    0.4877   -0.8930 N   0  0  0  0  0
    6.9197    0.8724   -0.6833 C   0  0  0  0  0
    6.9925    2.2280   -0.3904 C   0  0  0  0  0
    5.6742    2.6391   -0.3461 N   0  0  0  0  0
    5.2319    3.9837    0.0016 C   0  0  0  0  0
    4.9096    4.1320    1.4699 C   0  0  0  0  0
    5.8436    3.8006    2.4614 C   0  0  0  0  0
    5.5347    3.9393    3.8152 C   0  0  0  0  0
    4.2907    4.4362    4.2279 C   0  0  0  0  0
    3.3765    4.8176    3.2357 C   0  0  0  0  0
    3.6740    4.6552    1.8760 C   0  0  0  0  0
    4.0080    4.5975    5.6647 C   0  0  0  0  0
    4.7617    5.5813    6.3515 C   0  0  0  0  0
    4.6342    5.7915    7.7250 C   0  0  0  0  0
    3.7431    5.0229    8.4568 C   0  0  0  0  0
    2.9785    4.0517    7.8092 C   0  0  0  0  0
    3.0926    3.8269    6.4182 C   0  0  0  0  0
    2.2175    2.7250    5.8396 C   0  0  0  0  0
    1.2592    2.0614    6.5533 N   0  0  0  0  0
    1.0025    0.9495    5.8229 N   0  0  0  0  0
    1.5100    1.1297    4.5871 N   0  0  0  0  0
    2.0927    2.3523    4.5393 N   0  0  0  0  0
    8.2109    2.8915   -0.1776 C   0  0  0  0  0
    9.3831    2.1216   -0.2219 C   0  0  0  0  0
    9.3240    0.7491   -0.4980 C   0  0  0  0  0
    8.0971    0.1134   -0.7369 C   0  0  0  0  0
   10.7149    2.7606    0.0050 C   0  0  0  0  0
   11.7743    2.2148   -0.5123 N   0  0  0  0  0
   12.9972    2.8291   -0.3376 N   0  0  0  0  0
   13.2301    3.8604    0.5667 C   0  0  0  0  0
   14.2924    4.4748    0.6604 O   0  0  0  0  0
   12.0926    4.1420    1.5039 C   0  0  0  0  0
   10.7766    4.0593    0.7730 C   0  0  0  0  0
   14.1143    2.2706   -1.0891 C   0  0  0  0  0
   14.6740    1.0632   -0.3336 C   0  0  0  0  0
   15.4101    1.2417    0.6433 O   0  0  0  0  0
   14.3060   -0.2231   -0.7271 N   0  0  0  0  0
   14.8172   -1.3400    0.0491 C   0  0  0  0  0
   13.2334   -0.5448   -1.6548 C   0  0  0  0  0
   -0.8326    2.4944    4.5740 K   0  0  0  0  0
    0.6940    0.3327    0.9213 H   0  0  0  0  0
    0.9063    0.3814   -0.8367 H   0  0  0  0  0
    0.7945    1.8932    0.0876 H   0  0  0  0  0
    3.0420   -0.1754    0.3528 H   0  0  0  0  0
    2.9386    1.3340    1.2563 H   0  0  0  0  0
    3.0166    2.6173   -0.9180 H   0  0  0  0  0
    3.1438    1.1093   -1.7969 H   0  0  0  0  0
    4.3733    4.2295   -0.6307 H   0  0  0  0  0
    6.0222    4.6910   -0.2734 H   0  0  0  0  0
    6.8224    3.4072    2.2057 H   0  0  0  0  0
    6.2754    3.6451    4.5564 H   0  0  0  0  0
    2.4067    5.2183    3.5224 H   0  0  0  0  0
    2.9224    4.9322    1.1414 H   0  0  0  0  0
    5.4793    6.1900    5.8016 H   0  0  0  0  0
    5.2417    6.5444    8.2201 H   0  0  0  0  0
    3.6469    5.1635    9.5297 H   0  0  0  0  0
    2.2998    3.4479    8.4114 H   0  0  0  0  0
    8.2313    3.9570    0.0168 H   0  0  0  0  0
   10.2336    0.1544   -0.5265 H   0  0  0  0  0
    8.0467   -0.9481   -0.9532 H   0  0  0  0  0
   12.2174    5.1423    1.9329 H   0  0  0  0  0
   12.1393    3.4105    2.3190 H   0  0  0  0  0
   10.6810    4.8802    0.0535 H   0  0  0  0  0
    9.9601    4.1308    1.4981 H   0  0  0  0  0
   14.9222    3.0065   -1.1735 H   0  0  0  0  0
   13.8080    2.0418   -2.1103 H   0  0  0  0  0
   15.7644   -1.0956    0.5389 H   0  0  0  0  0
   14.9779   -2.1978   -0.6108 H   0  0  0  0  0
   14.0789   -1.5988    0.8140 H   0  0  0  0  0
   12.8109    0.3206   -2.1595 H   0  0  0  0  0
   12.4323   -1.0432   -1.1007 H   0  0  0  0  0
   13.6262   -1.2307   -2.4107 H   0  0  0  0  0
  1  2  1  0  0  0
  1 45  1  0  0  0
  1 46  1  0  0  0
  1 47  1  0  0  0
  2  3  1  0  0  0
  2 48  1  0  0  0
  2 49  1  0  0  0
  3  4  1  0  0  0
  3 50  1  0  0  0
  3 51  1  0  0  0
  4  5  2  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  6 30  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 52  1  0  0  0
  9 53  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 54  1  0  0  0
 12 13  2  0  0  0
 12 55  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 56  1  0  0  0
 15 57  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 58  1  0  0  0
 18 19  2  0  0  0
 18 59  1  0  0  0
 19 20  1  0  0  0
 19 60  1  0  0  0
 20 21  2  0  0  0
 20 61  1  0  0  0
 21 22  1  0  0  0
 22 23  2  0  0  0
 22 26  1  0  0  0
 23 24  1  0  0  0
 24 25  1  0  0  0
 25 26  2  0  0  0
 27 28  2  0  0  0
 27 62  1  0  0  0
 28 29  1  0  0  0
 28 31  1  0  0  0
 29 30  2  0  0  0
 29 63  1  0  0  0
 30 64  1  0  0  0
 31 37  1  0  0  0
 31 32  2  0  0  0
 32 33  1  0  0  0
 33 34  1  0  0  0
 33 38  1  0  0  0
 34 36  1  0  0  0
 34 35  2  0  0  0
 36 37  1  0  0  0
 36 65  1  0  0  0
 36 66  1  0  0  0
 37 67  1  0  0  0
 37 68  1  0  0  0
 38 39  1  0  0  0
 38 69  1  0  0  0
 38 70  1  0  0  0
 39 41  1  0  0  0
 39 40  2  0  0  0
 41 43  1  0  0  0
 41 42  1  0  0  0
 42 71  1  0  0  0
 42 72  1  0  0  0
 42 73  1  0  0  0
 43 74  1  0  0  0
 43 75  1  0  0  0
 43 76  1  0  0  0
M  CHG  2  24  -1  44   1
M  END

>  <Chemical Name>
CHEMBL2079788

>  <PubChem CID>
70688951

>  <Formula>
C32H32KN9O2

>  <Molecular Weight>
613.767000

>  <IUPAC Name>
potassium;N,N-dimethyl-2-[6-oxo-3-[2-propyl-3-[[4-[2-(1,2,4-triaza-3-azanidacyclopenta-1,4-dien-5-yl)phenyl]phenyl]methyl]benzimidazol-5-yl]-4,5-dihydropyridazin-1-yl]acetamide

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=N[N-]N=N5)C=C(C=C2)C6=NN(C(=O)CC6)CC(=O)N(C)C.[K+]

>  <Isomeric SMILES>
CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=N[N-]N=N5)C=C(C=C2)C6=NN(C(=O)CC6)CC(=O)N(C)C.[K+]

>  <InChI Std. ID>
InChI=1S/C32H32N9O2.K/c1-4-7-29-33-27-15-14-23(26-16-17-30(42)41(36-26)20-31(43)39(2)3)18-28(27)40(29)19-21-10-12-22(13-11-21)24-8-5-6-9-25(24)32-34-37-38-35-32;/h5-6,8-15,18H,4,7,16-17,19-20H2,1-3H3;/q-1;+1

>  <InChI Key>
AJCJZKWWCCQIKP-UHFFFAOYSA-N

