Molecule FYI-1000995

Home > Molecule

A

Molecule Summary:

ID: FYI-1000995
SMILES: Cc1cccc(-c2ccccc2-c2ccc3ncc(C(=O)O)n3c2)n1

Received at FYIcenter.com on: 2021-09-14

Molecule ID: FYI-1000995 Edit

Molecule Structure SMILES String: Cc1cccc(-c2ccccc2-c2ccc3ncc(C(=O)O)n3c2)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000995
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
    0.0000    5.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    5.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    6.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756    6.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    5.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1715    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6041    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0999    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4693    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4061    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9735    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9103    3.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4777    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4144    5.7842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7838    5.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9164    6.3160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0490    5.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6164    4.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4394    3.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8317    3.1753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8699    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2164    4.1617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2796    3.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8020    4.2855    0.0000 N   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
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  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 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 19  1  0  0  0  0
 23 16  1  0  0  0  0
 24 23  1  0  0  0  0
 24 13  2  0  0  0  0
 25  6  2  0  0  0  0
 25  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000995-3D
FYIcenter.com

 40 43  0  0  0  0  0  0  0  0999 V2000
   -0.0872   -1.1774   -2.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3063   -0.6499   -1.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1027   -1.3551   -0.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1065   -0.7921    1.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6906    0.4689    1.1745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0811    1.1312    0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6690    2.4967    0.0249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4464    2.9085    1.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9628    4.2020    1.2371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7016    5.1328    0.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9670    4.7568   -0.8797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4804    3.4423   -1.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7967    3.1261   -2.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6388    3.3025   -2.4947 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2334    2.9677   -3.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4635    2.4105   -4.7098 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8387    2.0381   -5.9108 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2999    1.5940   -6.5115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3951    1.6376   -5.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7185    1.2222   -6.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1173    1.2147   -7.2177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4841    0.7527   -5.0558 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9064    2.2171   -4.5014 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5294    2.6014   -3.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9145    0.5535   -1.2045 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3779   -2.1673   -2.6662 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5611   -0.4985   -3.2378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0486   -1.2541   -3.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5767   -2.3252   -0.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1946   -1.3211    1.9794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8143    0.9196    2.1532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6764    2.2105    1.9353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5656    4.4764    2.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0842    6.1463    0.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7801    5.4941   -1.6587 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2257    3.7019   -1.6726 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2978    3.1019   -3.8059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2906    1.2447   -7.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0311    0.6081   -4.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5948    2.4366   -3.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  2  0  0  0  0
  3  4  2  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  2  0  0  0  0
 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  2  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 39  1  0  0  0  0
 23 24  1  0  0  0  0
 24 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-12-28, 1052👍, 0💬