Molecule FYI-1001275

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Molecule Summary:

ID: FYI-1001275
SMILES: CO[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21

Received at FYIcenter.com on: 2022-04-23

Molecule ID: FYI-1001275 Edit

Molecule Structure SMILES String: CO[C@@]1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21

Download SDF Download SVG Structure in 2D SDF:

FYI-1001275
FYIcenter.com

 26 29  0  0  1  0  0  0  0  0999 V2000
    2.4216    2.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6324    2.7962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8433    2.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8433    3.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1322    4.5254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6324    4.1943    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6324    5.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8433    6.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8433    7.6895    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6324    8.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    7.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    8.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2109    5.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    6.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8433    0.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0540    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2648    0.6990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2648    2.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4755    2.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4755    4.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2648    4.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2648    6.2914    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.2067    4.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0540    2.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  1  0  0  0
  5  4  2  0  0  0  0
  6  4  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  1  0  0  0  0
 13 12  2  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
 16  7  1  0  0  0  0
 16 11  2  0  0  0  0
 17  3  1  0  0  0  0
 18 17  1  0  0  0  0
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 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 26 20  1  0  0  0  0
 26  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001275-3D
FYIcenter.com

 43 46  0  0  1  0  0  0  0  0999 V2000
    2.6181   -0.3656   -2.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4186   -0.5903   -1.2492 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7096   -1.1264   -0.1063 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6092   -0.0980    0.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4739   -0.4475    0.6807 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0840    1.2128    0.3857 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4575    2.3745    0.8898 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1505    2.3687    1.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4843    3.4461    1.8971 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1976    4.6086    1.8870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4819    4.7665    1.3672 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0808    6.0414    1.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3691    6.2002    0.8178 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0885    5.0871    0.4162 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5006    3.8159    0.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1603    3.6174    0.8962 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1292   -2.5022   -0.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7152   -3.2858    0.7586 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7876   -3.5083    1.6626 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6092   -2.4443    1.8828 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4204   -2.5662    3.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3192   -1.5584    3.3568 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4407   -0.4521    2.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5370    0.8071    2.9357 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6627   -0.3409    1.3699 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6974   -1.3213    1.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2840   -0.1708   -3.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9764    0.5084   -2.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0045   -1.2313   -2.6765 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9994    1.3269   -0.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4703    1.4789    1.3700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3412    5.4447    2.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5342    6.9211    1.6494 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8097    7.1930    0.7503 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1109    5.1995    0.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1208    2.9828    0.1493 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8903   -3.0747   -1.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2615   -2.4157   -1.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3616   -4.2734    0.4392 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8839   -2.8212    1.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3309   -3.4452    3.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9160   -1.6488    4.2602 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8030    0.5215    0.7322 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  3 17  1  0  0  0  0
  3 26  1  0  0  0  0
  3  4  1  1  0  0  0
  3  2  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  2  0  0  0  0
  8  9  2  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  2  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  2  0  0  0  0
 21 22  2  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-01, 1096👍, 0💬