Molecule FYI-1002549

A

Molecule Summary:

ID: FYI-1002549
Names:
InChIKey: YPTIYEXLOMTXTJ-UHFFFAOYSA-N
SMILES: O=C(Nc1ccc(Cl)cn1)c2ccccc2c4nc(c3ccc(F)cc3)no4

Received at FYIcenter.com on: 2023-04-10

Molecule ID: FYI-1002549 Edit

Molecule Structure InChIKey: YPTIYEXLOMTXTJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc1ccc(Cl)cn1)c2ccccc2c4nc(c3ccc(F)cc3)no4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002549
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    9.6994   10.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    8.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3544    5.8620    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7870    4.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1870    4.5305    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6196    5.8620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641    3.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5718    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7489    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3183    1.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7106    0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5336    2.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4954    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.6849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.7849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.6849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.9849    0.0000 Cl  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  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  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
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
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 14 13  1  0  0  0  0
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 16 15  1  0  0  0  0
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 19  4  1  0  0  0  0
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 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
 28 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002549-3D
FYIcenter.com

 40 43  0     0  0  0  0  0  0999 V2000
    3.5716    4.8616    0.4834 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7852   -2.1211   -0.8904 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5295   -2.4347    1.2529 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9063    1.6329   -1.8539 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5122   -1.2132   -0.3250 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2224    1.4932    0.3864 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1747   -2.7867    1.3011 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5981    2.4497    1.5831 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9642   -0.9952    0.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1693    0.3034   -0.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6418   -1.5042    0.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0558   -1.8253    0.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4661    0.7720   -0.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0568    1.2048   -0.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3590   -2.0246    0.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7591   -2.0495    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3526   -1.3565    0.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5578   -0.0580   -0.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5405   -3.1421    0.4001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3379   -0.9812   -0.6612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0633    2.3072    0.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9004   -3.1663    0.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6979   -1.0053   -0.9700 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4791   -2.0978   -0.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3216    2.9100   -0.7741 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4585    3.7106   -0.7586 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1656    3.8815    0.4264 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6982    3.2352    1.5593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9291   -2.8454    0.6532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6417    1.7824   -0.9939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2028   -2.0031    0.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5675    0.3068   -0.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4579    1.0866    1.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1192   -3.9934    0.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7538   -0.1160   -0.9641 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5091   -4.0172    0.3826 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1490   -0.1732   -1.5025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1718    2.8247   -1.7278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7837    4.1954   -1.6755 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2056    3.3282    2.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 24  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4 14  2  0  0  0  0
  5 11  2  0  0  0  0
  5 15  1  0  0  0  0
  6 14  1  0  0  0  0
  6 21  1  0  0  0  0
  6 33  1  0  0  0  0
  7 15  2  0  0  0  0
  8 21  2  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 12 17  1  0  0  0  0
 12 29  1  0  0  0  0
 13 18  1  0  0  0  0
 13 30  1  0  0  0  0
 15 16  1  0  0  0  0
 16 19  2  0  0  0  0
 16 20  1  0  0  0  0
 17 18  2  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 22  1  0  0  0  0
 19 34  1  0  0  0  0
 20 23  2  0  0  0  0
 20 35  1  0  0  0  0
 21 25  1  0  0  0  0
 22 24  2  0  0  0  0
 22 36  1  0  0  0  0
 23 24  1  0  0  0  0
 23 37  1  0  0  0  0
 25 26  2  0  0  0  0
 25 38  1  0  0  0  0
 26 27  1  0  0  0  0
 26 39  1  0  0  0  0
 27 28  2  0  0  0  0
 28 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-13, 1569👍, 0💬