Molecule FYI-1000231

Home > Molecule

A

Molecule Summary:

ID: FYI-1000231
SMILES: C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O

Received at FYIcenter.com on: 2021-01-22

Molecule ID: FYI-1000231 Edit

Molecule Structure SMILES String: C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000231
FYIcenter.com

 20 23  0  0  0  0  0  0  0  0999 V2000
    8.8861    2.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6738    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5274    3.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2485    4.1162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1159    3.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2622    1.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5412    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9738    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3738    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8063    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1378    1.7641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295    1.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8506    1.6475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7042    3.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8368    3.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6906    5.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4115    5.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789    5.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    3.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5710    0.0000 O   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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  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
 10  2  1  0  0  0  0
 11 10  1  0  0  0  0
 12  6  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
 15  5  1  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
 19 14  1  0  0  0  0
 20 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000231-3D
FYIcenter.com

 61 65  0  0  0  0  0  0  0  0999 V2000
   -1.5324    0.2114   -0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7196    1.3414    0.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7504    1.2693    0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3384   -0.0420    0.3428 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5984   -1.1222   -0.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8696   -1.1303    0.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7730   -0.0431   -0.0041 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5044   -1.3568    0.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8896   -1.1823    0.0104 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6842   -2.2856    0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2570   -3.6130    0.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1877   -4.6444    0.2968 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5464   -4.3555    0.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9760   -3.0248    0.4556 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0421   -1.9976    0.3094 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4834   -5.4848    0.6803 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1669   -6.5775    0.1979 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7120   -5.3228    1.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9342   -5.8997    1.1059 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0807   -5.7072    2.3750 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9364   -5.0581    3.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7574   -4.7135    2.7992 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7935   -3.9846    3.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9743   -3.7384    4.9165 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0908   -4.2404    5.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1055   -4.8655    4.8426 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2288   -4.1478    6.9081 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3554   -6.6411   -0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7230   -6.4392   -1.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0402   -7.2194   -2.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0386   -8.1791   -2.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7289   -8.3603   -1.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3829   -7.6060   -0.0780 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3650   -8.9737   -3.4453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6088    0.3645   -1.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5506    0.2148    0.2164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7906    1.2869    1.5286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1427    2.3059    0.1338 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2933    2.0640    0.5423 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8348    1.4756   -1.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0023   -2.0979   -0.0553 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6777   -1.0259   -1.4223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9387   -1.3629    1.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4001   -1.9261   -0.4430 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2771    0.7588    0.5521 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9199    0.1943   -1.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0893   -2.1512   -0.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3885   -1.6073    1.3744 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2188   -3.8878   -0.0088 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8443   -5.6782    0.2803 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0250   -2.7672    0.5721 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3722   -0.9614    0.3228 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8750   -3.6264    3.0973 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2143   -3.1850    5.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9914   -5.2339    5.3513 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3669   -3.9081    7.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9465   -5.6923   -1.4783 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4889   -7.0665   -3.4025 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5194   -9.1036   -1.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9267   -7.8127    0.8394 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7217   -8.8179   -4.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2 37  1  0  0  0  0
  2 38  1  0  0  0  0
  3  4  1  0  0  0  0
  3 39  1  0  0  0  0
  3 40  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 41  1  0  0  0  0
  5 42  1  0  0  0  0
  6 43  1  0  0  0  0
  6 44  1  0  0  0  0
  7  8  1  0  0  0  0
  7 45  1  0  0  0  0
  7 46  1  0  0  0  0
  8  9  1  0  0  0  0
  8 47  1  0  0  0  0
  8 48  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 49  1  0  0  0  0
 12 13  2  0  0  0  0
 12 50  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 14 51  1  0  0  0  0
 15 52  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 53  1  0  0  0  0
 24 25  1  0  0  0  0
 24 54  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 55  1  0  0  0  0
 27 56  1  0  0  0  0
 28 29  2  0  0  0  0
 28 33  1  0  0  0  0
 29 30  1  0  0  0  0
 29 57  1  0  0  0  0
 30 31  2  0  0  0  0
 30 58  1  0  0  0  0
 31 32  1  0  0  0  0
 31 34  1  0  0  0  0
 32 33  2  0  0  0  0
 32 59  1  0  0  0  0
 33 60  1  0  0  0  0
 34 61  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-05, 1608👍, 0💬