Molecule FYI-1007853

A

Molecule Summary:

ID: FYI-1007853
Names:
InChIKey: DENYZIUJOTUUNY-MRXNPFEDSA-N
SMILES: C[C@]12CCCN1Cc3n[nH]c(=O)c5cc(F)cc4[nH]c2c3c45

Received at FYIcenter.com on: 2024-03-19

Molecule ID: FYI-1007853 Edit

Molecule Structure InChIKey: DENYZIUJOTUUNY-MRXNPFEDSA-N

Molecule Structure SMILES String: C[C@]12CCCN1Cc3n[nH]c(=O)c5cc(F)cc4[nH]c2c3c45

Download SDF Download SVG Structure in 2D SDF:

FYI-1007853
FYIcenter.com

 22 26  0  0  1  0  0  0  0  0999 V2000
    5.6156    2.0124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8408    3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5749    4.3628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1038    5.6777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7617    6.1954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6158    7.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3397    8.1527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9080    9.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5112    9.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0796    8.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2096    7.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3557    5.9426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4210    4.9045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6317    5.3744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4858    3.9852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1194    3.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6878    2.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6224    1.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1908    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9887    1.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4204    2.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  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
  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  7  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  6  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  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
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
 22 16  1  0  0  0  0
 22  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007853-3D
FYIcenter.com

 37 41  0     1  0  0  0  0  0999 V2000
    4.4728    2.3133   -0.2331 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3478   -2.5142   -0.2798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1391   -0.5675    0.0681 N   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3535    1.9308    0.2926 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1978   -2.6922    0.1977 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1307   -2.8377   -0.0051 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6404    0.7750    0.4698 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3590    1.6722   -0.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1470    0.8185    0.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2789   -0.5911   -1.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3720    0.8653   -1.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3791   -1.7151    0.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3310   -0.2846    0.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0625    1.1149    1.9030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8767   -1.6013    0.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9845    0.1478    0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9634    1.5449    0.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1859   -0.5353   -0.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1249    2.3125    0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2330   -2.0058   -0.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3641    0.2268   -0.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3298    1.6228   -0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8867    2.6495   -0.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3972    1.8538   -0.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4330   -1.0688   -1.9023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1848   -1.1409   -1.6701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2743    1.0645   -2.4175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5039    1.1286   -2.4467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7635   -2.6532    0.1768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5110   -1.7796    1.6810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1453    1.0090    2.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7995    2.1495    2.1540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5719    0.4674    2.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6762    2.8875    0.3431 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0971    3.3961    0.0574 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3305   -0.2561   -0.2865 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3564   -3.8273   -0.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 20  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  4  9  1  0  0  0  0
  4 17  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6 20  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 15  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 35  1  0  0  0  0
 21 22  2  0  0  0  0
 21 36  1  0  0  0  0
M  END
$$$$

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2024-03-23, 1073👍, 0💬