Molecule FYI-1015622

A

Molecule Summary:

ID: FYI-1015622
Names:
InChIKey: MVVGTTJHJFWUCK-UHFFFAOYSA-N
SMILES: CCN4CCC(NC(=O)Nc3ccc(c2nnc(c1ccccc1)o2)cc3)CC4

Received at FYIcenter.com on: 2025-09-18

Molecule ID: FYI-1015622 Edit

Molecule Structure InChIKey: MVVGTTJHJFWUCK-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN4CCC(NC(=O)Nc3ccc(c2nnc(c1ccccc1)o2)cc3)CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015622
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
   14.9588    6.2203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9588    7.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7463    8.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5339    7.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5339    6.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7463    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6842    7.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4718    8.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2592    7.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2592    6.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4718    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6842    6.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0468    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7679    6.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8311    5.0494    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5311    3.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9005    4.1280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1091    7.6203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1091    6.2203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3836    6.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1712    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3215    8.3203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8966    8.3203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 17 13  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 25 24  2  0  0  0  0
 27 26  1  0  0  0  0
 27  1  1  0  0  0  0
 28 24  1  0  0  0  0
 28  4  1  0  0  0  0
 29 24  1  0  0  0  0
 29  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015622-3D
FYIcenter.com

 54 57  0  0  0  0  0  0  0  0999 V2000
    0.0603    3.5401    0.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2530    2.6061    0.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1940    2.6050    1.3318 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2868    1.6520    1.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1647    1.5532    2.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7059    2.9252    2.7662 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7630    3.4282    1.8829 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0598    3.0537    2.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3240    2.3362    3.0909 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9624    3.5814    1.2341 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3639    3.3464    1.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9237    2.2924    2.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3101    2.1545    2.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1813    3.0665    1.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6101    2.9533    1.7730 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2510    2.1359    2.5875 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5857    2.4694    2.5130 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6769    3.4669    1.6558 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8635    4.1585    1.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1259    3.8250    1.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2901    4.4017    1.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2056    5.3272    0.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9594    5.6986   -0.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7927    5.1191    0.1459 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4536    3.8344    1.1429 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6226    4.0798    0.7275 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2252    4.2152    0.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5716    3.9281    2.8874 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6980    3.9442    1.6437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6227    3.4804   -0.4503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3656    4.5884    0.4795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4942    3.2728    1.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7665    2.8712   -0.7345 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8481    1.5934    0.0649 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6520    4.3803    0.7049 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.6957    1.3383    2.7375 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2129    3.0945    2.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2598    4.1145    1.5624 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1114    5.7599   -0.2897 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8896    6.4264   -1.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8348    5.4147   -0.2710 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2680    4.7979    0.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8385    5.0349    0.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9615    4.9338    3.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9514    3.6564    3.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2432    4.3595    0.7878 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8763    4.6278    1.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2 33  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  7 40  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
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 10 41  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  2  0  0  0  0
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 18 25  1  0  0  0  0
 19 20  1  0  0  0  0
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 20 21  2  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  2  0  0  0  0
 22 46  1  0  0  0  0
 23 24  1  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
 26 27  1  0  0  0  0
 26 49  1  0  0  0  0
 27 50  1  0  0  0  0
 28 29  1  0  0  0  0
 28 51  1  0  0  0  0
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 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
M  END
$$$$

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2025-09-24, 881👍, 0💬