Molecule Editor

Molecule ID: FYI-1014144 Edit

Molecule Structure InChIKey: HDKXXEJJLTXATL-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)c5cc3cnc(Nc2ccc(N1CCNCC1)cn2)nc3n(C4CCCC4)c5=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014144
FYIcenter.com

 32 36  0  0  0  0  0  0  0  0999 V2000
    9.6996   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9297    6.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3623    4.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7623    4.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1949    6.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 O   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  2  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  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  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
 20 15  1  0  0  0  0
 21 14  1  0  0  0  0
 22 21  2  0  0  0  0
 22 11  1  0  0  0  0
 23  9  1  0  0  0  0
 24 23  2  0  0  0  0
 24  6  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 30 26  1  0  0  0  0
 31 25  1  0  0  0  0
 31  4  1  0  0  0  0
 32 31  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014144-3D
FYIcenter.com

 59 63  0     0  0  0  0  0  0999 V2000
   -4.2695    2.2424   -0.0863 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0056    0.4084   -1.1371 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5912    0.6329   -0.0360 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9214   -1.1040    0.0177 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4184    0.1084    0.0590 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7356    1.7617   -0.1569 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5619   -3.4234    0.0617 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6982   -2.8006    0.0695 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8226   -0.7004    0.0372 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5226    1.5904   -0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5853    2.5595    1.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5596    2.5081   -1.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6631    3.6844    0.6841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8846    3.8069   -0.8216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2291   -0.7487   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9206    1.0616   -0.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2430   -1.6958    0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9690   -0.0029   -0.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6406   -1.2993   -0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3624   -0.0879   -1.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4321    1.4383    0.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7599    0.3865   -0.6529 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8632    1.8592    1.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8486   -3.0241    0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2396   -0.6458    0.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2780   -2.0355    0.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917   -2.0549    0.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0902   -2.7584    0.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1171   -3.8432    0.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
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  7 25  2  0  0  0  0
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  9 29  2  0  0  0  0
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 32 59  1  0  0  0  0
M  END
$$$$