Molecule FYI-1005153

A

Molecule Summary:

ID: FYI-1005153
Names:
InChIKey: HHPSGUDXHLYOML-UHFFFAOYSA-N
SMILES: O=C(O)C3CNc2cc(N1CCNCC1)c(F)cc2C3=O

Received at FYIcenter.com on: 2023-10-16

Molecule ID: FYI-1005153 Edit

Molecule Structure InChIKey: HHPSGUDXHLYOML-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)C3CNc2cc(N1CCNCC1)c(F)cc2C3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005153
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   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  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  4  7  1  0  0  0  0
 10 11  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
  1 15  1  0  0  0  0
  2 16  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 21  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005153-3D
FYIcenter.com

 37 39  0     1  0  0  0  0  0999 V2000
    1.9468    2.4212   -0.3761 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0694    1.8947   -0.2424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7400   -1.0203   -0.6527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2822    0.5795    0.9052 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -0.1307   -0.0306 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7625   -0.7056    0.2369 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5324   -1.8498    0.2571 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5144   -1.4096   -0.5103 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7744    0.5446    1.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5985    0.0959   -0.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9933   -1.2700   -0.8706 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2434    0.6152    0.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6712   -0.7726    0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4810   -0.4845   -0.3031 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1484    0.5328   -0.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9199   -1.5915    0.5823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7158   -0.9756    0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6131    0.7573   -0.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1065    1.3872   -0.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2684    1.6104   -0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9087   -0.2285    0.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3978   -2.1774    0.2652 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9760   -1.7449   -1.4055 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4242    1.5640    1.1977 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6777   -0.0099    1.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3974   -2.2568   -1.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1071   -0.6408   -1.7624 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3641    1.3021   -0.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8328    1.0216    1.4173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4320   -0.7707   -1.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9974   -1.3183    1.6429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4954   -2.5153    0.4524 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7396   -0.6197   -0.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0863   -1.9865    0.2571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1437   -2.7655    0.4491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6337    2.6216   -0.4148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3114   -1.6404   -1.2803 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 18  2  0  0  0  0
  3 21  1  0  0  0  0
  3 37  1  0  0  0  0
  4 21  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 33  1  0  0  0  0
  7 13  1  0  0  0  0
  7 16  1  0  0  0  0
  7 35  1  0  0  0  0
  8 11  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 12  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 17  1  0  0  0  0
 10 19  2  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  2  0  0  0  0
 14 16  1  0  0  0  0
 14 18  1  0  0  0  0
 14 21  1  0  0  0  0
 14 30  1  0  0  0  0
 15 18  1  0  0  0  0
 15 20  2  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 34  1  0  0  0  0
 19 20  1  0  0  0  0
 20 36  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-02, 1791👍, 0💬