Molecule FYI-1003210

A

Molecule Summary:

ID: FYI-1003210
Names:
InChIKey: MPZPRFNDLSJVHN-UHFFFAOYSA-N
SMILES: Fc7ccc6[nH]cc(C(c3ccc(Nc2nc1ccccc1s2)cc3)c4c[nH]c5ccc(F)cc45)c6c7

Received at FYIcenter.com on: 2023-05-24

Molecule ID: FYI-1003210 Edit

Molecule Structure InChIKey: MPZPRFNDLSJVHN-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc7ccc6[nH]cc(C(c3ccc(Nc2nc1ccccc1s2)cc3)c4c[nH]c5ccc(F)cc45)c6c7

Download SDF Download SVG Structure in 2D SDF:

FYI-1003210
FYIcenter.com

 37 43  0  0  0  0  0  0  0  0999 V2000
    6.1676    3.2746    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1045    4.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4738    4.0240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4106    5.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6717    5.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6086    6.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9780    6.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6780    7.6083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7412    8.6487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4623    8.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498    8.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2498   10.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3824   11.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9498   12.3336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5498   12.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1172   11.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7478   10.7112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8109   11.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4416   11.4604    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2435   13.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6130   13.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374    8.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250    8.7793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    8.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0374    6.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8250    5.9793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    6.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.9793    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    3.7564    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5326    3.7564    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  4  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
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 12  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 21 15  1  0  0  0  0
 22 11  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 22  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 24  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 33 29  1  0  0  0  0
 34 32  1  0  0  0  0
 35 34  2  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 37 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003210-3D
FYIcenter.com

 57 63  0  0  0  0  0  0  0  0999 V2000
   -4.4830   -0.7174   -3.3642 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6606   -0.7581   -2.3053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2264   -1.9905   -1.8382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3606   -2.0620   -0.7455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9752   -0.8553   -0.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1421   -0.6436    0.9291 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0624    0.6893    1.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8388    1.3963    0.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0366    2.8994    0.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6702    3.3435    1.5547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9443    3.6975    2.7097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5831    4.1857    3.8682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9710    4.2861    3.9292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7027    4.7770    5.0240 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3234    5.3359    6.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1990    5.9318    6.5248 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2561    6.3995    7.8391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2518    7.1145    8.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4387    7.4611    9.8807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6101    7.1195   10.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6333    6.4479    9.8732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4361    6.1027    8.5207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5148    5.3175    7.4557 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6968    3.9121    2.7844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0671    3.4438    1.6251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7951    3.7362   -0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5088    3.2934   -0.1807 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3141    4.3632   -0.4531 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5721    5.5171   -0.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9746    6.8281   -0.7964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0030    7.8239   -0.7715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3158    7.5100   -0.4478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2304    8.4897   -0.4175 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7097    6.2018   -0.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7480    5.1691   -0.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4137    0.3992   -0.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2672    0.4412   -1.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5620   -2.8986   -2.3305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0066   -3.0201   -0.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6654   -1.3763    1.4362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4531    1.0366    2.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7313    3.1275   -0.5860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8582    3.6240    2.7136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9719    4.4714    4.7209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6709    4.4833    4.9971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3360    7.3896    8.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6572    7.9978   10.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7381    7.3752   11.5964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5580    6.1916   10.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7823    3.9932    2.7771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6822    3.1737    0.7691 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9297    2.2978   -0.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3097    4.3146   -0.6184 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0048    7.0656   -1.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2569    8.8527   -1.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7443    6.0032    0.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6294    1.3788   -2.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 37  2  0  0  0  0
  3  4  2  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  2  0  0  0  0
  6  7  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  2  0  0  0  0
  7 41  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
  9 42  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  2  0  0  0  0
 11 12  2  0  0  0  0
 11 43  1  0  0  0  0
 12 13  1  0  0  0  0
 12 44  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  2  0  0  0  0
 14 15  1  0  0  0  0
 14 45  1  0  0  0  0
 15 16  2  0  0  0  0
 15 23  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 18 46  1  0  0  0  0
 19 20  1  0  0  0  0
 19 47  1  0  0  0  0
 20 21  2  0  0  0  0
 20 48  1  0  0  0  0
 21 22  1  0  0  0  0
 21 49  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 27  2  0  0  0  0
 26 35  1  0  0  0  0
 27 28  1  0  0  0  0
 27 52  1  0  0  0  0
 28 29  1  0  0  0  0
 28 53  1  0  0  0  0
 29 30  1  0  0  0  0
 29 35  2  0  0  0  0
 30 31  2  0  0  0  0
 30 54  1  0  0  0  0
 31 32  1  0  0  0  0
 31 55  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 56  1  0  0  0  0
 36 37  1  0  0  0  0
 37 57  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 1562👍, 0💬