Molecule FYI-1010222

A

Molecule Summary:

ID: FYI-1010222
Names:
InChIKey: GDLRCSBJGSIBDW-UHFFFAOYSA-N
SMILES: Cc6ccc5CN(c3ccc(C(=O)Nc2nc(c1ccc[nH]1)cs2)cc3)CC4(CC4)c5c6

Received at FYIcenter.com on: 2024-06-03

Molecule ID: FYI-1010222 Edit

Molecule Structure InChIKey: GDLRCSBJGSIBDW-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc6ccc5CN(c3ccc(C(=O)Nc2nc(c1ccc[nH]1)cs2)cc3)CC4(CC4)c5c6

Download SDF Download SVG Structure in 2D SDF:

FYI-1010222
FYIcenter.com

 32 37  0  0  0  0  0  0  0  0999 V2000
    9.4611   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2487   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0362   12.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8238   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5449   12.4694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081   11.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157   11.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5157   12.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463   12.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789   10.5350    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3081   10.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6775   10.5076    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2487   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0362    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0362    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2487    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2487    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0362    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0362    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6362    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3362    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2487    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2487    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4611    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4611    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6736    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6736    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4611    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4611    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4611    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4611    9.8000    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  2  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
 11  7  1  0  0  0  0
 12  6  2  0  0  0  0
 13 12  1  0  0  0  0
 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  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
 22 20  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 25  1  0  0  0  0
 28 27  2  0  0  0  0
 29 23  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 30 18  1  0  0  0  0
 31 17  1  0  0  0  0
 32 31  2  0  0  0  0
 32 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010222-3D
FYIcenter.com

 56 61  0  0  0  0  0  0  0  0999 V2000
    8.6232    0.4852    6.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2988    0.9248    4.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9393    2.2513    4.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6598    2.6743    3.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7595    1.7831    2.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3977    2.3003    0.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5952    1.3525   -0.4897 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5013    1.6197   -1.5142 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6645    2.3714   -1.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5711    2.5970   -2.3591 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3251    2.0896   -3.6374 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3503    2.3474   -4.6890 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5288    2.2976   -4.3554 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8522    2.6976   -5.9242 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6817    3.1139   -6.9337 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9876    3.0690   -7.0164 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4024    3.7017   -8.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8448    3.8109   -8.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4434    4.4688   -9.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8401    4.2711   -9.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0574    3.5003   -8.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8340    3.2435   -7.7508 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3823    4.2000   -8.9660 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8650    3.8221   -8.2566 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1717    1.3412   -3.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2796    1.1072   -2.8082 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4269   -0.0570   -0.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3892   -0.4168    0.9886 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0268   -1.7816    0.8395 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9089   -0.5873    0.7839 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1475    0.4371    2.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3857    0.0226    3.5498 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5562    1.3219    6.7329 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6464    0.0993    6.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9240   -0.2875    6.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8799    2.9688    5.1971 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3742    3.7100    2.9170 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9170    3.2502    0.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3281    2.5391    0.6401 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9210    2.7455   -0.3311 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4835    3.1596   -2.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8642    2.8428   -6.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9399    5.0331  -10.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6118    4.6588  -10.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9595    3.1231   -7.8764 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6632    2.7030   -6.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4486    4.7241   -9.9088 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9670    0.9001   -4.8389 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3851    0.5164   -3.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5297   -0.7277   -0.9988 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3980   -0.2094    0.2219 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9414   -2.3078   -0.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0691   -2.4515    1.6847 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3331   -0.2331   -0.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5768   -0.4609    1.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6810   -1.0062    3.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  2  0  0  0  0
  3  4  2  0  0  0  0
  3 36  1  0  0  0  0
  4  5  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  2  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  2  0  0  0  0
  9 10  2  0  0  0  0
  9 40  1  0  0  0  0
 10 11  1  0  0  0  0
 10 41  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 42  1  0  0  0  0
 15 16  2  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  2  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 20 21  2  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 24  1  0  0  0  0
 23 47  1  0  0  0  0
 25 26  1  0  0  0  0
 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
 27 28  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 29 30  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 31 32  1  0  0  0  0
 32 56  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-11, 527👍, 0💬