Molecule FYI-1006260

A

Molecule Summary:

ID: FYI-1006260
Names:
InChIKey: UWLXMDBDYJMMAM-UHFFFAOYSA-N
SMILES: Oc5ccc4NC2C(CCN3CC1CC(O)OCC1CC23)c4c5

Received at FYIcenter.com on: 2023-12-06

Molecule ID: FYI-1006260 Edit

Molecule Structure InChIKey: UWLXMDBDYJMMAM-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc5ccc4NC2C(CCN3CC1CC(O)OCC1CC23)c4c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1006260
FYIcenter.com

 23 27  0  0  0  0  0  0  0  0999 V2000
    8.6011   10.8568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3887   10.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1764   10.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9638   10.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9638    8.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235    7.8201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4929    6.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8853    6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7081    5.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1387    4.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7464    4.1296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    2.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2534    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    3.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    5.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235    5.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1764    8.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3887    8.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  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
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 19 13  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21  7  1  0  0  0  0
 21 11  1  0  0  0  0
 22  8  1  0  0  0  0
 22  5  1  0  0  0  0
 23 22  2  0  0  0  0
 23  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006260-3D
FYIcenter.com

 47 51  0  0  1  0  0  0  0  0999 V2000
    1.4313   -0.3187    0.7220 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7946   -0.0555    0.7076 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0119    1.5898    0.4648 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5861    1.8631    0.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8837    0.4073    0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8609   -0.0220   -1.3001 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6623    0.7557   -0.4895 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5854   -0.2743    0.8412 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5579    0.7421    1.5796 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9184    2.1091    1.8904 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6881    2.4979    1.1284 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.4447    1.9131    2.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4647    0.4924    1.5433 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2934   -0.4242    2.7283 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6021   -2.0066    2.0405 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4042   -2.3479    2.7269 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3799   -2.3346    0.3426 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1618   -1.4792   -1.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1778    0.1112   -0.6460 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2935    1.3601   -1.7512 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7850    2.0766   -0.6151 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9753   -1.0439    0.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3335   -1.2653    0.7812 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9491    0.4385    0.3509 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2358    2.3316    0.3836 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7999    2.9001   -0.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0994   -1.0138   -1.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625    0.8650   -0.9272 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1504   -0.2502    1.8586 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4532    0.9318    0.9604 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0036    0.2826    2.4724 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6578    2.9126    1.8170 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7023    2.0840    2.9686 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7760    2.7611    2.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8339    1.6135    3.0875 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2337   -0.0918    2.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4526    0.2450    2.9908 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8149   -0.6430    3.6684 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3254   -2.7804    2.3467 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1753   -3.2120    2.3459 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2838   -1.2188   -1.6253 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7728   -2.2544   -1.4925 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3355    0.6156   -1.2299 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6767    2.2089   -2.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6201    0.8542   -2.6753 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2805    2.9017   -1.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2677   -2.3724    0.7357 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  2  0  0  0  0
  3  4  2  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  2  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 23 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-14, 1065👍, 0💬