Molecule FYI-1013676

A

Molecule Summary:

ID: FYI-1013676
Names:
InChIKey: DRVHQFZIZXYYON-RMKNXTFCSA-N
SMILES: O=C(/C=C/c1ccc(N(=O)=O)s1)c4ccc(Nc2ccnc3cc(Cl)ccc23)cc4

Received at FYIcenter.com on: 2025-01-21

Molecule ID: FYI-1013676 Edit

Molecule Structure InChIKey: DRVHQFZIZXYYON-RMKNXTFCSA-N

Molecule Structure SMILES String: O=C(/C=C/c1ccc(N(=O)=O)s1)c4ccc(Nc2ccnc3cc(Cl)ccc23)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1013676
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
   16.8143    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.6019    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6019    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3893    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1769    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1769    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9645    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7521    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7521    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9645    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9645    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7521    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7521    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5396    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3272    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9024    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6899    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4775    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1986    6.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2617    5.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    4.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    3.3376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    2.2050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3312    4.9077    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3272    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5396    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3893    0.0000    0.0000 C   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  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
 10  5  1  0  0  0  0
 11 10  1  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
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  2  0  0  0  0
 26 22  1  0  0  0  0
 26 19  1  0  0  0  0
 27 16  2  0  0  0  0
 28 15  1  0  0  0  0
 29 28  2  0  0  0  0
 29 12  1  0  0  0  0
 30  6  2  0  0  0  0
 30  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013676-3D
FYIcenter.com

 44 47  0  0  0  0  0  0  0  0999 V2000
    1.1484   -0.0106    0.4779 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2404    0.0732   -0.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9530   -1.1631   -0.5378 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3956   -2.3740   -0.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0440   -3.5931   -0.7322 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2736   -3.8280   -1.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5604   -5.2146   -1.5279 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5341   -6.0080   -1.0717 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4885   -7.4471   -1.1065 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4762   -8.0151   -1.5987 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4901   -8.0198   -0.6529 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2503   -5.1056   -0.4277 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8674    1.4262   -0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2505    2.5465    0.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7920    3.8469    0.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9543    4.0701   -0.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6333    5.2994   -0.6766 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3875    6.6786   -0.4442 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1107    7.2011   -0.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9755    8.5679   -0.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0035    9.4416   -0.0706 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2420    8.9572   -0.2220 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2978    9.8608   -0.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6171    9.4375   -0.3492 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8983   10.5861   -0.3463 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.9056    8.0886   -0.4759 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8586    7.1667   -0.4898 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5033    7.5766   -0.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5643    2.9385   -1.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9207   -1.0615   -1.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4183   -2.4432    0.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9602   -3.0427   -1.6256 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4714   -5.5992   -1.9741 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4136    5.2072   -1.3204 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2215    6.5915   -0.2981 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9962    9.0228    0.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0804   10.9208   -0.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9338    7.7463   -0.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1201    6.1144   -0.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4900    3.0534   -1.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5781    0.8402   -1.4894 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 13  1  0  0  0  0
  3  4  2  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  2  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
 13 14  1  0  0  0  0
 13 30  2  0  0  0  0
 14 15  2  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 29  2  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  2  0  0  0  0
 19 20  2  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 23 24  2  0  0  0  0
 23 40  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 41  1  0  0  0  0
 27 28  1  0  0  0  0
 27 42  1  0  0  0  0
 29 30  1  0  0  0  0
 29 43  1  0  0  0  0
 30 44  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1158👍, 0💬