Molecule FYI-1000264

Home > Molecule

A

Molecule Summary:

ID: FYI-1000264
SMILES: COc1cc2c(CC3C4CCCCC24CCN3CCc2ccccc2)cc1

Received at FYIcenter.com on: 2021-02-24

Molecule ID: FYI-1000264 Edit

Molecule Structure SMILES String: COc1cc2c(CC3C4CCCCC24CCN3CCc2ccccc2)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000264
FYIcenter.com

 27 31  0  0  0  0  0  0  0  0999 V2000
   14.6214    3.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4359    3.8785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2504    3.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0649    3.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8793    3.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8793    1.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6938    1.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5084    1.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5084    3.1941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4084    3.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3229    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5084    5.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6938    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6938    3.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1131    4.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8495    4.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9277    2.7378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7422    2.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5566    2.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3711    2.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1856    2.7378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1856    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3711    0.6845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0649    1.1407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2504    1.8252    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
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14  5  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 17  8  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 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 24  2  0  0  0  0
 25 20  1  0  0  0  0
 26  6  1  0  0  0  0
 27 26  2  0  0  0  0
 27  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000264-3D
FYIcenter.com

 58 62  0  0  1  0  0  0  0  0999 V2000
    1.8016   -0.0169    1.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2308   -0.6957   -0.1706 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6689    0.1596   -1.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6347   -0.3226   -2.0989 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2632    0.5808   -2.9762 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9253    1.9991   -2.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6997    3.1822   -3.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0153    2.6595   -3.9781 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4881    1.5074   -4.8579 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2811    1.7321   -6.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7271    0.5777   -7.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1968   -0.7245   -6.5987 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6049   -0.9445   -5.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4622    0.1958   -4.0433 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6706   -0.1144   -3.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5861    1.0527   -2.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8450    2.2825   -2.8210 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4590    3.3456   -2.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8742    3.7200   -2.4856 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3597    4.8480   -1.6151 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0186    4.5765   -0.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3474    5.6181    0.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0265    6.9313    0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3733    7.2070   -1.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0374    6.1672   -1.9515 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8492    2.4076   -1.9879 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2168    1.4774   -1.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6890   -0.7527    1.8228 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8185    0.4551    0.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5363    0.7287    1.3609 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9373   -1.3640   -2.0587 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8578    3.9750   -2.6558 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0870    3.6255   -4.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5361    3.4028   -4.5897 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3980    1.6318   -4.8339 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6681    2.6993   -6.7014 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1923    1.8171   -6.5838 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8174    0.5935   -7.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3303    0.6991   -8.2208 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6270   -1.5381   -7.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1156   -0.7889   -6.6946 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6939   -1.0672   -5.2828 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2681   -1.9208   -4.7616 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3141   -0.9267   -3.4608 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3165   -0.5287   -2.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3948    1.0780   -3.5823 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0568    0.8678   -1.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4750    3.0247   -0.9935 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8306    4.2444   -2.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8851    4.0209   -3.5428 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5621    2.8708   -2.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2346    3.5502   -0.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8376    5.4017    1.3996 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2740    7.7426    0.7910 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1052    8.2292   -1.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4933    6.3862   -2.8677 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5672    3.4451   -1.9197 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4037    1.8481   -0.5746 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  2  0  0  0  0
  4  5  2  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  2  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 17  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 20  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 21 22  2  0  0  0  0
 21 52  1  0  0  0  0
 22 23  1  0  0  0  0
 22 53  1  0  0  0  0
 23 24  2  0  0  0  0
 23 54  1  0  0  0  0
 24 25  1  0  0  0  0
 24 55  1  0  0  0  0
 25 56  1  0  0  0  0
 26 27  1  0  0  0  0
 26 57  1  0  0  0  0
 27 58  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-04-04, 2295👍, 0💬