Molecule FYI-1007032

A

Molecule Summary:

ID: FYI-1007032
Names:
InChIKey: CFSSZVBJSHOACV-UHFFFAOYSA-N
SMILES: COc1ccc6c(c1OC)C4CC7(C)CC(=O)CC5(c3cc2OCOc2cc3CCN45)C67

Received at FYIcenter.com on: 2024-01-25

Molecule ID: FYI-1007032 Edit

Molecule Structure InChIKey: CFSSZVBJSHOACV-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1ccc6c(c1OC)C4CC7(C)CC(=O)CC5(c3cc2OCOc2cc3CCN45)C67

Download SDF Download SVG Structure in 2D SDF:

FYI-1007032
FYIcenter.com

 32 38  0  0  0  0  0  0  0  0999 V2000
    8.1255    5.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9992    6.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8496    5.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8509    4.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7722    3.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5291    4.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5243    5.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7065    6.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7137    7.3310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5764    7.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4392    6.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020    5.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020    4.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4392    3.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7241    4.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7119    5.3271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8509    6.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9891    5.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9881    4.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8762    3.3540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8509    2.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9881    1.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2612    0.1374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5672    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1013    1.1997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1255    2.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1255    3.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0587    2.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9696    1.6459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0603    0.3358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7897    2.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8773    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  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  7  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  6  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 26 22  1  0  0  0  0
 27 26  2  0  0  0  0
 27 19  1  0  0  0  0
 28 15  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
 31 13  1  0  0  0  0
 32 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007032-3D
FYIcenter.com

 59 65  0     1  0  0  0  0  0999 V2000
    0.0161   -4.9002   -0.5737 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2996    1.6710   -1.4942 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2227    1.3111    1.8004 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0653    3.7716    0.3003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0708    1.9074   -0.3738 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4911   -1.2784   -1.3309 N   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4297   -1.3625   -0.1308 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4470   -1.1574    1.1773 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5901   -2.2379    1.1961 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8820   -0.9018   -0.9585 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4609   -2.0437   -0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0283   -2.7955   -0.1100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0998    0.2109    1.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9836   -3.6536    1.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8808    0.3464   -0.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6550   -0.4204   -0.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0305   -0.4731   -2.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4729   -2.0989    2.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0163   -3.8649    0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4683   -0.5665   -2.7059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1748   -0.0659   -1.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9785    1.2594    1.9627 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5470    1.5330   -0.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3345    0.0217    0.9455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3330    0.7168   -1.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4262    2.5897    0.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6475    2.4539    1.6919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4626    0.8042    0.7909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9482    1.1424   -0.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2365    2.0148    1.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6775    1.3095   -1.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3518    4.7569   -0.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1436   -1.2374    2.0962 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5074   -0.7903   -1.8514 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5147   -2.9667   -0.6812 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4974   -1.8015    0.1815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5658   -3.0183   -1.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7525   -2.9071    0.7079 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4350   -3.8273    2.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7722   -4.4126    1.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5517   -0.8112   -3.3720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2905    0.5854   -2.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0085   -1.1443    2.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8696   -2.1686    3.3671 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2277   -2.8928    2.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7792   -1.5943   -2.9247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7283    0.0476   -3.5762 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3773    1.1596    2.8603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0138   -0.2467    1.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7322    0.9823   -2.5759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5608    3.2830    2.3896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2056    3.0745    1.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2175    1.6080    1.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7852    0.2612   -1.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1956    1.9554   -0.6872 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1320    1.4439   -2.3882 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4421    5.0538    0.0887 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0990    4.3808   -1.4391 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9943    5.6347   -0.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  2  0  0  0  0
  2 23  1  0  0  0  0
  2 31  1  0  0  0  0
  3 28  1  0  0  0  0
  3 30  1  0  0  0  0
  4 26  1  0  0  0  0
  4 32  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 19  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 15  2  0  0  0  0
 13 22  1  0  0  0  0
 14 19  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 23  1  0  0  0  0
 16 21  1  0  0  0  0
 16 24  2  0  0  0  0
 17 20  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 25  2  0  0  0  0
 22 27  2  0  0  0  0
 22 48  1  0  0  0  0
 23 26  2  0  0  0  0
 24 28  1  0  0  0  0
 24 49  1  0  0  0  0
 25 29  1  0  0  0  0
 25 50  1  0  0  0  0
 26 27  1  0  0  0  0
 27 51  1  0  0  0  0
 28 29  2  0  0  0  0
 30 52  1  0  0  0  0
 30 53  1  0  0  0  0
 31 54  1  0  0  0  0
 31 55  1  0  0  0  0
 31 56  1  0  0  0  0
 32 57  1  0  0  0  0
 32 58  1  0  0  0  0
 32 59  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-11, 295👍, 0💬