Molecule FYI-1006224

A

Molecule Summary:

ID: FYI-1006224
Names:
InChIKey: UAFZMCVPNDRZGF-UHFFFAOYSA-N
SMILES: CC5(C)OB(C4=CCN(c2cccc3c(=O)n(C1CCC(=O)NC1=O)c(=O)c23)CC4)OC5(C)C

Received at FYIcenter.com on: 2023-12-03

Molecule ID: FYI-1006224 Edit

Molecule Structure InChIKey: UAFZMCVPNDRZGF-UHFFFAOYSA-N

Molecule Structure SMILES String: CC5(C)OB(C4=CCN(c2cccc3c(=O)n(C1CCC(=O)NC1=O)c(=O)c23)CC4)OC5(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006224
FYIcenter.com

 34 38  0  0  0  0  0  0  0  0999 V2000
   10.5455    4.9000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    9.3331    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1207    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9083    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9083    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6959    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6959    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2710    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2710    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4834    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1923    4.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1291    5.2098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.3157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    5.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    6.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    7.9530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    7.9530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2306    3.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8611    2.7457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1207    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3331    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8246    4.3306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7614    5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8940    4.5480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0402    5.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0614    6.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1940    7.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9150    7.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6919    6.2923    0.0000 O   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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  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
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  2  0  0  0  0
 23 14  1  0  0  0  0
 23 10  1  0  0  0  0
 24 23  2  0  0  0  0
 25  5  1  0  0  0  0
 26 25  1  0  0  0  0
 26  2  1  0  0  0  0
 27  1  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31 28  1  0  0  0  0
 32 31  1  0  0  0  0
 33 31  1  0  0  0  0
 34 31  1  0  0  0  0
 34  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006224-3D
FYIcenter.com

 62 66  0  0  1  0  0  0  0  0999 V2000
   -0.2534   -0.6217   -1.9774 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6456   -0.2558   -0.7662 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8957   -1.1542   -0.8181 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0592    1.0758   -0.9233 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1145    1.7777   -0.0638 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.0398    3.3413   -0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8209    3.9296    0.8346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9218    5.4218    0.9907 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0608    6.1466    0.1922 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7195    7.3320    0.6899 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0160    7.6875    0.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6960    8.8198    0.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1133    9.6394    1.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8467    9.3039    2.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0158    9.9619    3.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3404   10.9556    3.7618 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1572    9.2916    3.2749 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2602    9.5453    4.2136 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.6027    9.8238    3.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6491   11.2130    2.8940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2321   12.2480    3.9106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5563   13.4117    3.7328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4631   11.9228    4.9892 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9693   10.6682    5.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208   10.4557    6.1298 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1391    8.2515    2.4059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0803    7.4879    2.2819 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1496    8.2022    1.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3773    5.5637   -1.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9496    4.1619   -0.8984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7453    0.9344    0.7629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1299   -0.3157    0.6184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8103   -0.5286    1.8355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2225   -1.4031    0.6773 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3017   -0.4789   -2.9290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1624    0.0151   -2.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5630   -1.6883   -1.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4005   -1.0465   -1.8025 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6301   -2.2189   -0.6597 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6376   -0.8392   -0.0534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4800    3.3293    1.4586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7310    5.6017    2.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9473    5.7060    0.6753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5434    7.0851   -0.5066 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6861    9.0517    0.3299 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6354   10.5074    2.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4141    8.6176    4.8102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3884    9.7929    4.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8762    9.0498    2.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7042   11.3905    2.5899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0018   11.2949    1.9956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2029   12.6654    5.6561 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0740    6.1718   -1.7126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5629    5.4962   -1.6940 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9556    4.2039   -0.4266 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0440    3.6918   -1.8999 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6063    0.2445    1.8702 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2845   -1.5328    1.7946 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2344   -0.4701    2.7840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0051   -1.2225   -0.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7412   -1.3712    1.6603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7893   -2.4138    0.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 32  1  0  0  0  0
  3 38  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
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  2  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 41  1  0  0  0  0
  8  9  1  0  0  0  0
  8 42  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  2  0  0  0  0
 11 12  2  0  0  0  0
 11 44  1  0  0  0  0
 12 13  1  0  0  0  0
 12 45  1  0  0  0  0
 13 14  2  0  0  0  0
 13 46  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 18 24  1  0  0  0  0
 18 47  1  0  0  0  0
 19 20  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 21  1  0  0  0  0
 20 50  1  0  0  0  0
 20 51  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 52  1  0  0  0  0
 24 25  2  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 29 30  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 30 55  1  0  0  0  0
 30 56  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 57  1  0  0  0  0
 33 58  1  0  0  0  0
 33 59  1  0  0  0  0
 34 60  1  0  0  0  0
 34 61  1  0  0  0  0
 34 62  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-10, 328👍, 0💬