Molecule FYI-1013534

A

Molecule Summary:

ID: FYI-1013534
Names:
InChIKey: MWLJAVAAWPPFMB-FOCLMDBBSA-N
SMILES: NC(=O)NC(=O)c3cccc(/C(Nc2ccc1C(=O)N=C(O)Cc1c2)=C(O)/F)c3

Received at FYIcenter.com on: 2025-01-02

Molecule ID: FYI-1013534 Edit

Molecule Structure InChIKey: MWLJAVAAWPPFMB-FOCLMDBBSA-N

Molecule Structure SMILES String: NC(=O)NC(=O)c3cccc(/C(Nc2ccc1C(=O)N=C(O)Cc1c2)=C(O)/F)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013534
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
   14.5492    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  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
 12 11  1  0  0  0  0
 13 12  1  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  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 24 17  1  0  0  0  0
 25 24  2  0  0  0  0
 25 14  1  0  0  0  0
 26 12  2  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 29 11  2  0  0  0  0
 29  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013534-3D
FYIcenter.com

 44 46  0  0  0  0  0  0  0  0999 V2000
    4.0997    0.4459    1.9193 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4074    0.5244    1.5994 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2763    0.1114    2.3568 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7190    1.0405    0.3811 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8583    1.4903   -0.6092 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6469    1.6459   -0.4407 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4746    1.8592   -1.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7601    2.7440   -2.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2385    3.0661   -3.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4340    2.5027   -4.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2228    1.6595   -3.6477 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5415    1.0900   -4.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8561   -0.2008   -3.6912 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8259   -0.5271   -2.7017 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7453   -1.8261   -2.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3691   -2.1286   -0.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1982   -1.1709   -0.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6236   -1.2097    0.9998 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7701   -1.1856    1.8754 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9718   -1.1063    1.2101 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5527   -0.2609    0.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8806   -0.1461    0.5519 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8737    0.6242   -0.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6197   -0.0538   -1.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8649    0.3176   -2.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3526    1.7171   -5.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1969    2.9929   -5.4970 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4220    1.0269   -5.4815 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7007    1.3271   -2.3757 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8623    0.1569    2.8567 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4263    1.0006    1.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7159    1.0604    0.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8195    3.1733   -2.3823 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6688    3.7440   -4.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7219    2.7337   -5.4802 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0161   -0.7581   -3.5394 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1186   -2.5784   -2.6373 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2029   -3.0776   -0.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1449   -0.8107    1.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5801    0.7649   -1.4349 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6431    1.5909   -0.1502 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0682    1.2633   -2.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6896    3.4943   -4.8406 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2474    0.6257   -1.7515 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
  2  3  2  0  0  0  0
  2  4  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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  2  0  0  0  0
  8  9  2  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  2  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  2  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  2  0  0  0  0
 15 16  2  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 39  1  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 25 42  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 43  1  0  0  0  0
 29 44  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 952👍, 0💬