Molecule FYI-1001121

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A

Molecule Summary:

ID: FYI-1001121
SMILES: O=C(O)c1ccc(NC2=C(n3c4c(nc3)cccc4)C(=O)c3c(C2=O)cccc3)cc1

Received at FYIcenter.com on: 2022-01-18

Molecule ID: FYI-1001121 Edit

Molecule Structure SMILES String: O=C(O)c1ccc(NC2=C(n3c4c(nc3)cccc4)C(=O)c3c(C2=O)cccc3)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001121
FYIcenter.com

 31 35  0  0  0  0  0  0  0  0999 V2000
   10.7028    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0693    6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    6.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367    4.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    7.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2041    8.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    8.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    7.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  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  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
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 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
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 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 12  1  0  0  0  0
 20 10  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 24  9  1  0  0  0  0
 25 24  2  0  0  0  0
 26 23  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 22  1  0  0  0  0
 30  7  1  0  0  0  0
 31 30  2  0  0  0  0
 31  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001121-3D
FYIcenter.com

 46 50  0  0  0  0  0  0  0  0999 V2000
   11.0475   -1.2288   -1.1026 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9396   -2.0740   -0.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9116   -2.3632    0.6486 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7199   -2.9180   -0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9296   -3.1747   -1.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7640   -3.9509   -1.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3711   -4.4844    0.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2021   -5.2602    0.2509 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4914   -5.8434    1.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5891   -5.6089    2.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3305   -6.5323    3.7360 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2752   -6.3635    5.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1082   -7.0644    5.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7059   -7.8328    4.4144 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7644   -7.7821    3.6314 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6230   -7.0710    6.7867 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4635   -6.5993    7.7967 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6989   -6.0286    7.4785 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1043   -5.8226    6.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8536   -4.3251    2.9322 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3613   -3.3968    3.5415 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4380   -4.3127    2.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0819   -5.0541    1.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0608   -6.0337    0.7947 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8242   -6.7301   -0.1642 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8469   -4.8347    0.7187 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9153   -3.9955    1.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081   -3.4142    2.5703 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4815   -3.5470    3.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1730   -4.2011    1.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3236   -3.4146    1.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7814   -3.1801    1.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2117   -2.7668   -2.1871 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1662   -4.1215   -1.9837 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7308   -5.3862   -0.6521 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2314   -8.6148    3.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6947   -7.5779    7.0242 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1751   -6.7436    8.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3689   -5.7636    8.2984 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6101   -5.2967   -0.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0470   -3.8062    0.8602 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4487   -2.8337    3.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7219   -3.0710    4.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9129   -4.5765    2.2477 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8691   -3.1859    2.0595 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  2  0  0  0  0
  5  6  2  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  2  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  2  3  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  2  0  0  0  0
 13 14  1  0  0  0  0
 13 16  2  0  0  0  0
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 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  2  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 29  2  0  0  0  0
 23 24  1  0  0  0  0
 23 26  2  0  0  0  0
 24 25  2  0  0  0  0
 26 27  1  0  0  0  0
 26 41  1  0  0  0  0
 27 28  2  0  0  0  0
 27 42  1  0  0  0  0
 28 29  1  0  0  0  0
 28 43  1  0  0  0  0
 29 44  1  0  0  0  0
 30 31  1  0  0  0  0
 30 45  1  0  0  0  0
 31 46  1  0  0  0  0
M  END
$$$$

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2022-04-13, 2471👍, 0💬