
 KUC104543N

 64 68  0  0  0  0  0  0  0  0999 V2000
    2.1563   -2.1610   -3.2219 C   0  0  0  0  0
    3.5490   -1.8996   -2.7353 C   0  0  0  0  0
    3.8713   -0.7216   -2.0671 C   0  0  0  0  0
    5.1814   -0.4903   -1.6215 C   0  0  0  0  0
    6.2286   -1.4019   -1.8447 C   0  0  0  0  0
    5.8709   -2.5858   -2.5123 C   0  0  0  0  0
    4.5615   -2.8315   -2.9554 C   0  0  0  0  0
    7.5263   -1.1571   -1.3629 N   0  0  0  0  0
    8.0213    0.2386   -1.4522 C   0  0  0  0  0
    9.3066    0.4299   -0.6146 C   0  0  0  0  0
   10.4102   -0.5068   -0.9245 N   0  0  0  0  0
    9.8709   -1.8799   -0.8152 C   0  0  0  0  0
    8.5761   -2.1692   -1.6148 C   0  0  0  0  0
   11.0361   -0.2639   -2.2313 C   0  0  0  0  0
   11.6987    1.1166   -2.3727 C   0  0  0  0  0
   12.7024    1.4093   -1.2593 C   0  0  0  0  0
   13.2866    2.7325   -1.3788 N   0  0  0  0  0
   12.6397    3.8637   -0.9034 C   0  0  0  0  0
   11.4922    3.8421   -0.4653 O   0  0  0  0  0
   13.4947    5.1348   -1.0134 C   0  0  0  0  0
   12.8843    6.2855   -0.3658 N   0  0  0  0  0
   12.9212    6.3512    1.0518 C   0  0  0  0  0
   12.2844    7.3920    1.7326 C   0  0  0  0  0
   12.3208    7.4380    3.1270 C   0  0  0  0  0
   12.9988    6.4343    3.8078 C   0  0  0  0  0
   13.6168    5.4412    3.0675 C   0  0  0  0  0
   13.6024    5.3865    1.7165 N   0  0  0  0  0
   11.6319    8.3669    0.9629 N   0  0  0  0  0
   10.9687    9.5012    1.3722 C   0  0  0  0  0
   10.5167   10.1674    0.2522 C   0  0  0  0  0
   10.9087    9.4070   -0.8716 C   0  0  0  0  0
   11.5937    8.2983   -0.4075 C   0  0  0  0  0
   12.2012    7.2156   -1.1395 C   0  0  0  0  0
   12.1419    7.1416   -2.3666 O   0  0  0  0  0
    1.4516   -1.4157   -2.8385 H   0  0  0  0  0
    1.8131   -3.1440   -2.8832 H   0  0  0  0  0
    2.1276   -2.1269   -4.3155 H   0  0  0  0  0
    3.1085    0.0277   -1.8680 H   0  0  0  0  0
    5.3474    0.4235   -1.0598 H   0  0  0  0  0
    6.6033   -3.3589   -2.7188 H   0  0  0  0  0
    4.3441   -3.7647   -3.4702 H   0  0  0  0  0
    7.2982    0.9602   -1.0630 H   0  0  0  0  0
    8.2087    0.4945   -2.5023 H   0  0  0  0  0
    9.6405    1.4699   -0.6891 H   0  0  0  0  0
    9.0481    0.2954    0.4449 H   0  0  0  0  0
   10.6414   -2.6099   -1.0932 H   0  0  0  0  0
    9.6641   -2.0682    0.2472 H   0  0  0  0  0
    8.8055   -2.2093   -2.6869 H   0  0  0  0  0
    8.2326   -3.1613   -1.2977 H   0  0  0  0  0
   10.3223   -0.3938   -3.0531 H   0  0  0  0  0
   11.8212   -1.0165   -2.3830 H   0  0  0  0  0
   10.9346    1.9010   -2.4161 H   0  0  0  0  0
   12.2155    1.1577   -3.3403 H   0  0  0  0  0
   13.5289    0.6910   -1.2969 H   0  0  0  0  0
   12.2368    1.3378   -0.2715 H   0  0  0  0  0
   14.2097    2.8191   -1.7837 H   0  0  0  0  0
   13.6395    5.3340   -2.0824 H   0  0  0  0  0
   14.4870    4.9522   -0.5857 H   0  0  0  0  0
   11.8340    8.2226    3.6957 H   0  0  0  0  0
   13.0440    6.4245    4.8918 H   0  0  0  0  0
   14.1571    4.6349    3.5564 H   0  0  0  0  0
   10.8682    9.7615    2.4161 H   0  0  0  0  0
    9.9641   11.0982    0.2481 H   0  0  0  0  0
   10.7203    9.6325   -1.9146 H   0  0  0  0  0
  1  2  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 38  1  0  0  0
  4  5  2  0  0  0
  4 39  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 40  1  0  0  0
  7 41  1  0  0  0
  8 13  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 42  1  0  0  0
  9 43  1  0  0  0
 10 11  1  0  0  0
 10 44  1  0  0  0
 10 45  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  1  0  0  0
 12 46  1  0  0  0
 12 47  1  0  0  0
 13 48  1  0  0  0
 13 49  1  0  0  0
 14 15  1  0  0  0
 14 50  1  0  0  0
 14 51  1  0  0  0
 15 16  1  0  0  0
 15 52  1  0  0  0
 15 53  1  0  0  0
 16 17  1  0  0  0
 16 54  1  0  0  0
 16 55  1  0  0  0
 17 18  1  0  0  0
 17 56  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  1  0  0  0
 20 57  1  0  0  0
 20 58  1  0  0  0
 21 22  1  0  0  0
 21 33  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 28  1  0  0  0
 24 25  2  0  0  0
 24 59  1  0  0  0
 25 26  1  0  0  0
 25 60  1  0  0  0
 26 27  2  0  0  0
 26 61  1  0  0  0
 28 32  1  0  0  0
 28 29  1  0  0  0
 29 30  2  0  0  0
 29 62  1  0  0  0
 30 31  1  0  0  0
 30 63  1  0  0  0
 31 32  2  0  0  0
 31 64  1  0  0  0
 32 33  1  0  0  0
 33 34  2  0  0  0
M  END

>  <Chemical Name>
KUC104543N

>  <PubChem CID>
44828480

>  <Formula>
C26H30N6O2

>  <Molecular Weight>
458.566000

>  <IUPAC Name>


>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=C(C=C1)N2CCN(CC2)CCCNC(=O)CN3C4=C(C=CC=N4)N5C=CC=C5C3=O

>  <Isomeric SMILES>
CC1=CC=C(C=C1)N2CCN(CC2)CCCNC(=O)CN3C4=C(C=CC=N4)N5C=CC=C5C3=O

>  <InChI Std. ID>
InChI=1S/C26H30N6O2/c1-20-7-9-21(10-8-20)30-17-15-29(16-18-30)13-4-12-27-24(33)19-32-25-22(5-2-11-28-25)31-14-3-6-23(31)26(32)34/h2-3,5-11,14H,4,12-13,15-19H2,1H3,(H,27,33)

>  <InChI Key>
AJDQGSOMSDFVHZ-UHFFFAOYSA-N

