Molecule FYI-1001814

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A

Molecule Summary:

ID: FYI-1001814
SMILES: ClC1=CC(NC(=O)C23CC4CC(CC(C4)C2)C3)=CC(C2CCCC2)=C1Cl

Received at FYIcenter.com on: 2022-12-13

Molecule ID: FYI-1001814 Edit

Molecule Structure SMILES String: ClC1=CC(NC(=O)C23CC4CC(CC(C4)C2)C3)=CC(C2CCCC2)=C1Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1001814
FYIcenter.com

 26 30  0  0  0  0  0  0  0  0999 V2000
    7.2153    6.0487    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2153    4.8028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1363    4.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1363    2.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0573    2.3109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9782    2.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9782    4.1798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8992    2.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6532    2.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0350    1.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0446    2.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8226    3.7496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8992    0.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6144    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5222    1.2319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0685    3.7496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2153    2.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2943    2.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3734    2.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5036    1.0718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7222    0.8127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3452    1.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5116    2.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2943    4.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3734    4.8028    0.0000 Cl  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  6  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
 15 10  1  0  0  0  0
 16 14  1  0  0  0  0
 16  8  1  0  0  0  0
 17 12  1  0  0  0  0
 17  8  1  0  0  0  0
 18  4  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24 20  1  0  0  0  0
 25 19  2  0  0  0  0
 25  2  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001814-3D
FYIcenter.com

 53 57  0  0  1  0  0  0  0  0999 V2000
    1.4879    1.5382   -0.1634 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0075    0.6613   -0.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1817    1.4169   -0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4411    0.8180   -0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6588    1.5650   -0.0589 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7521    2.9502   -0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7784    3.7007   -0.0880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1653    3.5676   -0.1627 C   0  0  3  0  0  0  0  0  0  0  0  0
   -6.0214    3.2038    1.0699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3826    3.9307    1.0131 C   0  0  3  0  0  0  0  0  0  0  0  0
   -7.1569    5.4523    0.9869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3382    5.8379   -0.2524 C   0  0  3  0  0  0  0  0  0  0  0  0
   -7.0708    5.4004   -1.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2943    3.8783   -1.5073 C   0  0  3  0  0  0  0  0  0  0  0  0
   -8.1283    3.5142   -0.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9328    3.1517   -1.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9907    5.1179   -0.1913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4945   -0.5866   -0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3176   -1.3886   -0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4181   -2.9038   -0.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1632   -3.4395   -1.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5089   -4.8833   -0.9685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3724   -4.9975    0.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1475   -3.5759    1.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0645   -0.7363   -0.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4212   -1.6403   -0.1465 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0579    2.4948   -0.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5202    1.0334   -0.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4917    3.4744    1.9922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1911    2.1209    1.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9797    3.6655    1.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6317    5.7692    1.8968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1192    5.9782    0.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1766    6.9219   -0.2692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4855    5.6818   -2.4122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0317    5.9239   -1.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3398    3.3858   -2.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0990    2.0673   -1.4543 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3834    5.4138   -1.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4645   -1.0800    0.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4205   -3.3550   -0.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5511   -3.3798   -2.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0868   -2.8830   -1.5215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8235   -5.5814   -1.4629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5225   -5.1317   -1.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5054   -5.6251    0.7921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2500   -5.4631    1.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5542   -3.5671    1.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1096   -3.0999    1.2769 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  2  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 18 19  1  0  0  0  0
 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  2  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 20 45  1  0  0  0  0
 21 22  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 23  1  0  0  0  0
 22 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 24  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
$$$$

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2023-01-06, 2777👍, 0💬