Molecule FYI-1005566

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A

Molecule Summary:

ID: FYI-1005566
Names:
InChIKey: MHJVGNLKCYCMDZ-UHFFFAOYSA-N
SMILES: Cc2cc(=O)oc3cc(Nc1ccccc1)c(Br)cc23

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005566 Edit

Molecule Structure InChIKey: MHJVGNLKCYCMDZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc(=O)oc3cc(Nc1ccccc1)c(Br)cc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1005566
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6373    1.4000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    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  2  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  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  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 16  1  0  0  0  0
 19 18  2  0  0  0  0
 19  4  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005566-3D
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
    0.9344    0.1847   -0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4330    0.1557   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1518    1.2880   -0.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6212    1.3170   -0.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2290    2.3824   -0.1414 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2667    0.0972   -0.1839 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5389   -1.1048   -0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3005   -2.2688   -0.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6867   -3.5204    0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4717   -4.6665    0.3062 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6972   -4.7492    0.9946 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0223   -3.8524    2.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2978   -3.8227    2.5894 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2706   -4.7070    2.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9571   -5.6265    1.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6766   -5.6510    0.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2835   -3.5604    0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3495   -5.2089    0.2150 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.5216   -2.3798   -0.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1482   -1.1277   -0.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5498    1.2105   -0.0537 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5547   -0.3191    0.8221 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5175   -0.3028   -0.9607 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6870    2.2668   -0.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3842   -2.1889   -0.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1136   -5.5325   -0.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2752   -3.1558    2.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5284   -3.1011    3.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2730   -4.6695    2.5518 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7174   -6.3163    0.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4675   -6.3522   -0.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4377   -2.4526   -0.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  2  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 20  2  0  0  0  0
  8  9  2  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  2  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
M  END
$$$$

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2023-11-09, 1646👍, 0💬