Molecule FYI-1001279

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Molecule Summary:

ID: FYI-1001279
SMILES: C4Cc1c([nH]c2ccc(Br)cc12)c3ccccc3N4

Received at FYIcenter.com on: 2022-04-27

Molecule ID: FYI-1001279 Edit

Molecule Structure SMILES String: C4Cc1c([nH]c2ccc(Br)cc12)c3ccccc3N4

Download SDF Download SVG Structure in 2D SDF:

FYI-1001279
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
    5.6703    1.8415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0468    1.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2693    0.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1703   -0.3491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0343   -1.3339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4817   -1.7631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0561   -1.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5261   -2.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4909   -2.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9995   -1.4666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.4337    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    3.5498   -0.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5842   -0.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0713    0.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8238   -0.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8215   -0.3361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0533    0.6794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2843    1.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2938    1.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6703    1.8415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8083    2.4460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1117    2.1105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6603    1.5444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4882    0.7907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8267   -2.9424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1675   -2.9070    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2619   -0.0404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6789   -1.2382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2744   -0.7595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6451    0.8645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4153    1.9880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9393    2.4001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
  3 13  1  0  0  0  0
  7 13  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 14 19  2  0  0  0  0
 19 20  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 26  1  0  0  0  0
 12 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001279-3D
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
    0.8064   -2.5631    0.3922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0255   -2.0458   -0.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6297   -0.7377   -0.4054 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1267    0.3625   -0.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7598    1.3524    0.3149 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0587    0.9161    0.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2685    1.5752    0.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4545    0.8643    0.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4220   -0.4492   -0.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0491   -1.3825   -0.5004 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -3.2122   -1.0982   -0.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0072   -0.3994   -0.2724 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5897    0.4890   -0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1492    1.7392   -0.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5297    1.9346   -0.4094 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3790    0.8890   -0.0898 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8424   -0.3480    0.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4498   -0.5894    0.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1060   -1.9168    0.5518 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0105   -3.6259    0.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2476   -2.5068    1.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8125   -2.7708   -1.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5883   -1.9351   -1.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4948    2.2627    0.6578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2904    2.5970    0.8147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4054    1.3536    0.4335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1950   -2.1242   -0.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5086    2.5694   -0.6542 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9365    2.8957   -0.7134 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4561    1.0170   -0.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5299   -1.1651    0.4751 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6423   -2.3052    1.3228 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  2  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  2  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-01, 642👍, 0💬