Molecule FYI-1006237

A

Molecule Summary:

ID: FYI-1006237
Names:
InChIKey: CKLPLPZSUQEDRT-WPCRTTGESA-N
SMILES: C[C@H]3Cc1c([nH]c2cc(Cl)c(F)cc12)[C@@]5(N3)C(=O)Nc4ccc(Cl)cc45

Received at FYIcenter.com on: 2023-12-05

Molecule ID: FYI-1006237 Edit

Molecule Structure InChIKey: CKLPLPZSUQEDRT-WPCRTTGESA-N

Molecule Structure SMILES String: C[C@H]3Cc1c([nH]c2cc(Cl)c(F)cc12)[C@@]5(N3)C(=O)Nc4ccc(Cl)cc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1006237
FYIcenter.com

 26 30  0  0  1  0  0  0  0  0999 V2000
    8.9141    3.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5820    4.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5412    3.4403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2091    3.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9179    5.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9588    6.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2908    5.7474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8959    7.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1956    8.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8959    9.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2965    9.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9968    8.4340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2965    7.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3974    8.4340    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8256    8.1428    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6793    6.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4646    6.0682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5258    5.3801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9553    4.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6232    3.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3321    2.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3729    1.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7050    1.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9962    3.1728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0817    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8743    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  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
  6  7  1  6  0  0  0
  7  2  1  0  0  0  0
  8  6  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
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  1  0  0  0  0
 16  6  1  0  0  0  0
 17 16  2  0  0  0  0
 18  5  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24  4  1  0  0  0  0
 24 19  1  0  0  0  0
 25 22  1  0  0  0  0
 26 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006237-3D
FYIcenter.com

 40 44  0     1  0  0  0  0  0999 V2000
   -3.7427   -2.9763    2.6553 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4801   -2.6435   -0.7613 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8748   -0.1333    0.7379 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1693    2.0001   -2.4005 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6289    2.0140    0.6026 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6329   -0.7307   -0.6870 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7632    0.3175   -2.0730 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3506    0.8138   -0.2251 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0827    0.4012   -0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5321    3.0132    0.6070 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0885    1.1238    0.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8028    2.4196    1.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3265   -0.3004    0.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7085    1.1594   -1.6956 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2996    0.3978    0.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1248   -0.5393   -1.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9857   -0.7609   -0.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9552    4.2007    1.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5019   -1.0438    1.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6356    0.6080    0.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1109   -1.5053   -1.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9471   -1.7188   -0.7649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4942   -2.0290    1.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2919   -2.2573    0.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6060   -0.3429    0.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2649   -1.4876   -0.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7477    2.2477    2.2097 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6176    3.1301    0.9455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5052    2.4489    0.3149 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1276   -1.4421   -1.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2068    0.3170   -2.9838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1437    3.8971    2.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8689    4.6641    1.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1733    4.9676    1.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8823   -0.8612    2.1032 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9169    1.4955    1.2511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7232   -1.6802   -1.9373 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6700   -2.6072   -1.3241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0611   -3.0261    0.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 26  1  0  0  0  0
  3 25  1  0  0  0  0
  4 14  2  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 30  1  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  6 31  1  0  0  0  0
  7 14  1  0  0  0  0
  7 16  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 18  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 16  2  0  0  0  0
 13 19  1  0  0  0  0
 15 17  1  0  0  0  0
 15 20  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  2  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 23  2  0  0  0  0
 19 36  1  0  0  0  0
 20 25  1  0  0  0  0
 20 37  1  0  0  0  0
 21 24  2  0  0  0  0
 21 38  1  0  0  0  0
 22 26  1  0  0  0  0
 22 39  1  0  0  0  0
 23 24  1  0  0  0  0
 24 40  1  0  0  0  0
 25 26  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-10, 1841👍, 0💬