Molecule FYI-1002508

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A

Molecule Summary:

ID: FYI-1002508
Names:
InChIKey: PYDWRLNPMMKKCI-UHFFFAOYSA-N
SMILES: Fc4ccc(c2nc1sccn1c2c3ccncc3)cc4

Received at FYIcenter.com on: 2023-04-05

Molecule ID: FYI-1002508 Edit

Molecule Structure InChIKey: PYDWRLNPMMKKCI-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc4ccc(c2nc1sccn1c2c3ccncc3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002508
FYIcenter.com

 21 24  0  0  0  0  0  0  0  0999 V2000
    8.5177    4.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5177    5.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3052    6.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0928    5.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0928    4.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3052    3.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9652    4.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3979    6.1920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    7.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    6.1920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5652    4.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326    8.3464    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    8.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4857    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4857    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2732    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0608    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0608    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2732    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7301    3.4160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 10 14  1  0  0  0  0
  9 12  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 15  2  0  0  0  0
 11 18  1  0  0  0  0
  4  7  1  0  0  0  0
  1 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002508-3D
FYIcenter.com

 31 34  0     0  0  0  0  0  0999 V2000
    3.4209   -3.0172   -0.0460 S   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4302   -0.4058   -0.1299 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2200   -0.7520    0.0170 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6823   -2.3698   -0.0782 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6053    4.1133    0.1733 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0240   -0.1021    0.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0880   -1.1218   -0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9547   -2.0862   -0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8821    1.3336    0.0704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3358   -0.9363   -0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5512   -0.4121    0.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   -1.5017    0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9284   -0.2072   -1.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1264   -1.4863    0.9446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1933    1.9279    1.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4326    2.1273   -0.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3115   -0.0278   -1.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5095   -1.3070    0.9227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1020   -0.5779   -0.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0840    3.3093    1.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2679    3.4997   -0.8328 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8762    0.6158    0.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4179   -1.4920    0.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3324    0.2226   -1.8970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6806   -2.0560    1.7564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2465    1.3460    1.9253 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9715    1.7038   -1.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7735    0.5383   -1.9207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1254   -1.7346    1.7082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4419    3.8218    1.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6766    4.1629   -1.5881 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  2 19  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5 20  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 17  1  0  0  0  0
 13 24  1  0  0  0  0
 14 18  2  0  0  0  0
 14 25  1  0  0  0  0
 15 20  1  0  0  0  0
 15 26  1  0  0  0  0
 16 21  2  0  0  0  0
 16 27  1  0  0  0  0
 17 19  2  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 20 30  1  0  0  0  0
 21 31  1  0  0  0  0
M  END
$$$$

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2023-04-26, 2595👍, 0💬