Molecule Editor

Molecule ID: FYI-1002051 Edit

Molecule Structure InChIKey: GACQNUHFDBEIQH-HNNXBMFYSA-N

Molecule Structure SMILES String: Cc5ccc(c2ccc1ncc4c(c1n2)n(C3CCN(C(=O)[C@H](C)O)CC3)c(=O)n4C)cn5

Download SDF Download SVG Structure in 2D SDF:

FYI-1002051
FYIcenter.com

 33 37  0  0  1  0  0  0  0  0999 V2000
    0.0000    6.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3693    6.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    5.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756    5.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1082    7.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4777    7.3821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9103    8.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2796    9.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2165    7.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5858    8.2553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5226    7.2149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0900    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7206    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7839    6.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    6.3417    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5743    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3618    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1494    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9370    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9370    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7246    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7246    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2996    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1494    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3618    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8532    3.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1443    2.2611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7900    4.6710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1824    4.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1714    8.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8019    7.8403    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  2  0  0  0  0
 15  6  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 23 25  1  1  0  0  0
 26 20  1  0  0  0  0
 27 26  1  0  0  0  0
 27 17  1  0  0  0  0
 28 16  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 30 12  1  0  0  0  0
 31 30  1  0  0  0  0
 32  5  1  0  0  0  0
 33 32  2  0  0  0  0
 33  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002051-3D
FYIcenter.com

 59 63  0     1  0  0  0  0  0999 V2000
    2.1972   -3.4651    0.2062 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2601    1.3565    1.5439 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5155    2.3054   -0.5397 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3260   -2.0047    0.0891 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3495    0.9297    0.2928 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0374   -4.2429    0.0628 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6042   -3.2540   -0.1608 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9365    0.0216   -0.0501 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0583    4.3736    0.9790 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9734   -0.7167    0.1320 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7421   -0.5407    1.4454 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069   -0.5337   -1.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4922    0.7884    1.4715 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6541    0.7961   -0.9932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0663   -2.2170    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9922   -3.2661    0.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2733   -3.5917   -0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7060    1.2116    0.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1164   -1.3179   -0.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5214    1.3387   -0.8108 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5424   -4.0849   -0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3937   -1.9123   -0.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1591   -5.6699    0.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1435    0.0135   -1.1852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4807   -1.0502   -0.2117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0271    0.8120   -0.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3135    0.3288   -0.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7584    2.2296   -0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9761    2.8246   -1.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2714    3.0407    0.9021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7343    4.1931   -1.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2933    4.9164    0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0558    6.3877    0.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2483    0.0921    0.0863 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0518   -0.5911    2.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4686   -1.3502    1.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3313   -0.5802   -2.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6447   -1.3435   -1.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790    0.8629    2.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7864    1.6276    1.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9516    1.6346   -1.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3149    0.8496   -1.8555 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9584    1.7613   -1.6402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7669   -5.1435   -0.1109 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2248   -5.9045    0.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3580   -6.0980    0.9364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2449   -6.0952   -0.8502 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3818   -0.7354   -1.4230 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8041    0.1303   -2.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7607   -0.3801   -0.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4894   -1.4539   -0.2767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1780    0.9818   -0.2556 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1376    1.9309    0.1074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5486    2.2376   -1.8901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8858    2.6412    1.7041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1259    4.6686   -1.7976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9848    6.5963    0.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5566    6.8210    0.9564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4453    6.8846   -0.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2 18  2  0  0  0  0
  3 20  1  0  0  0  0
  3 53  1  0  0  0  0
  4 10  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 18  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 23  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  2  0  0  0  0
  8 19  1  0  0  0  0
  8 26  2  0  0  0  0
  9 30  1  0  0  0  0
  9 32  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  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 14  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 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  2  0  0  0  0
 17 21  2  0  0  0  0
 18 20  1  0  0  0  0
 19 22  1  0  0  0  0
 20 24  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 25  1  0  0  0  0
 23 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
 24 49  1  0  0  0  0
 24 50  1  0  0  0  0
 25 27  2  0  0  0  0
 25 51  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 52  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 31  2  0  0  0  0
 29 54  1  0  0  0  0
 30 55  1  0  0  0  0
 31 32  1  0  0  0  0
 31 56  1  0  0  0  0
 32 33  1  0  0  0  0
 33 57  1  0  0  0  0
 33 58  1  0  0  0  0
 33 59  1  0  0  0  0
M  END
$$$$