Molecule FYI-1003232

A

Molecule Summary:

ID: FYI-1003232
Names:
InChIKey: HPLNQCPCUACXLM-UHFFFAOYSA-N
SMILES: CN(C)CCC(CSc1ccccc1)Nc6ccc(S(=O)(=O)NC(=O)c5ccc(N4CCN(Cc2ccccc2c3ccc(Cl)cc3)CC4)cc5)cc6N(=O)=O

Received at FYIcenter.com on: 2023-05-25

Molecule ID: FYI-1003232 Edit

Molecule Structure InChIKey: HPLNQCPCUACXLM-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)CCC(CSc1ccccc1)Nc6ccc(S(=O)(=O)NC(=O)c5ccc(N4CCN(Cc2ccccc2c3ccc(Cl)cc3)CC4)cc5)cc6N(=O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003232
FYIcenter.com

 56 61  0  0  0  0  0  0  0  0999 V2000
   26.6737    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2488    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0364    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    9.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.6742   10.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2742   10.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.0364    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239   10.5000    0.0000 O   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  2  1  0  0  0  0
  5  4  1  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  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15  6  1  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  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  2  0  0  0  0
 25 22  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 33 28  1  0  0  0  0
 34 31  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 39 34  1  0  0  0  0
 40 37  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  2  0  0  0  0
 43 42  1  0  0  0  0
 44 43  2  0  0  0  0
 45 44  1  0  0  0  0
 46 45  2  0  0  0  0
 46 41  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  2  0  0  0  0
 49 48  1  0  0  0  0
 50 49  2  0  0  0  0
 51 50  1  0  0  0  0
 52 51  2  0  0  0  0
 52 47  1  0  0  0  0
 53 50  1  0  0  0  0
 54 17  1  0  0  0  0
 55 54  2  0  0  0  0
 56 54  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003232-3D
FYIcenter.com

101106  0  0  1  0  0  0  0  0999 V2000
   15.1265   -9.6178   -6.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4878   -9.2094   -6.5397 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.2883  -10.4127   -6.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1159   -8.3974   -7.5959 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4494   -7.0286   -7.8602 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3591   -6.0697   -6.6464 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.7810   -5.6353   -6.1807 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7702   -4.6199   -4.6485 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.5265   -4.4011   -4.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0790   -3.1186   -4.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4413   -2.9084   -4.2536 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2644   -3.9798   -3.9070 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7241   -5.2600   -3.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3594   -5.4685   -4.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5274   -4.8911   -7.0296 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1325   -4.8555   -6.9569 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3982   -5.9102   -6.3742 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0035   -5.8573   -6.2358 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3027   -4.7289   -6.6424 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5447   -4.7091   -6.4756 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1074   -6.0137   -6.0213 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1898   -3.5043   -5.7607 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9825   -4.4951   -8.0253 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2976   -5.3463   -9.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0686   -6.2852   -8.9801 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6845   -5.0258  -10.3989 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2212   -3.7534  -10.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6887   -3.5359  -12.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5906   -4.5697  -12.9569 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0288   -4.3690  -14.1922 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1983   -3.1311  -14.9665 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8254   -2.6061  -15.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0076   -3.6103  -16.1586 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6092   -3.9333  -17.4735 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7542   -4.8423  -18.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0378   -6.2297  -18.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3480   -7.1677  -19.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3586   -6.7396  -19.8896 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0605   -5.3763  -19.9859 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7458   -4.3863  -19.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4139   -2.9511  -19.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3833   -1.9825  -18.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1841   -0.6238  -18.7441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9187   -0.2119  -20.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6604    1.4542  -20.3756 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8527   -1.1482  -21.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1143   -2.4974  -20.7929 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8501   -4.7860  -15.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1763   -5.4065  -14.7872 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0557   -5.8362  -12.5873 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5972   -6.0670  -11.3279 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9792   -3.6374   -7.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3816   -3.7092   -7.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0463   -2.5339   -7.9339 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2354   -2.6392   -8.2984 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3945   -1.4984   -8.0698 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6755  -10.2142   -6.1056 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1072  -10.2080   -7.8301 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4714   -8.7544   -7.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8282  -11.0230   -5.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2878  -10.1439   -5.9243 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3955  -11.0352   -7.1785 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1350   -8.9592   -8.5394 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1657   -8.2199   -7.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4494   -7.1949   -8.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0126   -6.5319   -8.6622 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9023   -6.5879   -5.7978 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2881   -5.0701   -6.9697 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3770   -6.5251   -5.9597 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4508   -2.2648   -4.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8581   -1.9080   -4.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.3228   -3.8145   -3.7185 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.3616   -6.0910   -3.4973 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.9565   -6.4699   -3.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9336   -4.3185   -7.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8720   -6.8195   -6.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4889   -6.7237   -5.8213 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2748   -3.7703   -8.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2820   -2.9076  -10.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3076   -2.5445  -12.2625 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8379   -3.3414  -15.8320 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7133   -2.3449  -14.4048 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9526   -1.7050  -16.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2593   -2.2828  -14.5508 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991   -4.3925  -17.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8131   -3.0104  -18.0303 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8185   -6.5899  -17.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5919   -8.2239  -18.9443 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8183   -7.4595  -20.4992 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2735   -5.0851  -20.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5168   -2.2657  -17.4376 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2343    0.0941  -17.9301 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6122   -0.8421  -22.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0860   -3.1982  -21.6256 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2221   -5.5505  -15.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2773   -4.4647  -14.3928 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7167   -5.8822  -15.6124 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9175   -6.1981  -14.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0240   -6.6643  -13.2916 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9505   -7.0652  -11.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4212   -2.7474   -7.4653 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 57  1  0  0  0  0
  1 58  1  0  0  0  0
  1 59  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 60  1  0  0  0  0
  3 61  1  0  0  0  0
  3 62  1  0  0  0  0
  4  5  1  0  0  0  0
  4 63  1  0  0  0  0
  4 64  1  0  0  0  0
  5  6  1  0  0  0  0
  5 65  1  0  0  0  0
  5 66  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 67  1  0  0  0  0
  7  8  1  0  0  0  0
  7 68  1  0  0  0  0
  7 69  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 70  1  0  0  0  0
 11 12  1  0  0  0  0
 11 71  1  0  0  0  0
 12 13  2  0  0  0  0
 12 72  1  0  0  0  0
 13 14  1  0  0  0  0
 13 73  1  0  0  0  0
 14 74  1  0  0  0  0
 15 16  1  0  0  0  0
 15 75  1  0  0  0  0
 16 17  1  0  0  0  0
 16 53  2  0  0  0  0
 17 18  2  0  0  0  0
 17 76  1  0  0  0  0
 18 19  1  0  0  0  0
 18 77  1  0  0  0  0
 19 20  1  0  0  0  0
 19 52  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 78  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 51  2  0  0  0  0
 27 28  2  0  0  0  0
 27 79  1  0  0  0  0
 28 29  1  0  0  0  0
 28 80  1  0  0  0  0
 29 30  1  0  0  0  0
 29 50  2  0  0  0  0
 30 31  1  0  0  0  0
 30 49  1  0  0  0  0
 31 32  1  0  0  0  0
 31 81  1  0  0  0  0
 31 82  1  0  0  0  0
 32 33  1  0  0  0  0
 32 83  1  0  0  0  0
 32 84  1  0  0  0  0
 33 34  1  0  0  0  0
 33 48  1  0  0  0  0
 34 35  1  0  0  0  0
 34 85  1  0  0  0  0
 34 86  1  0  0  0  0
 35 36  1  0  0  0  0
 35 40  2  0  0  0  0
 36 37  2  0  0  0  0
 36 87  1  0  0  0  0
 37 38  1  0  0  0  0
 37 88  1  0  0  0  0
 38 39  2  0  0  0  0
 38 89  1  0  0  0  0
 39 40  1  0  0  0  0
 39 90  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 47  2  0  0  0  0
 42 43  2  0  0  0  0
 42 91  1  0  0  0  0
 43 44  1  0  0  0  0
 43 92  1  0  0  0  0
 44 45  1  0  0  0  0
 44 46  2  0  0  0  0
 46 47  1  0  0  0  0
 46 93  1  0  0  0  0
 47 94  1  0  0  0  0
 48 49  1  0  0  0  0
 48 95  1  0  0  0  0
 48 96  1  0  0  0  0
 49 97  1  0  0  0  0
 49 98  1  0  0  0  0
 50 51  1  0  0  0  0
 50 99  1  0  0  0  0
 51100  1  0  0  0  0
 52 53  1  0  0  0  0
 52101  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  2  0  0  0  0
 54 56  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 1414👍, 0💬