Molecule FYI-1003646

A

Molecule Summary:

ID: FYI-1003646
Names:
InChIKey: YMAOYJAKAGLHIJ-UHFFFAOYSA-N
SMILES: Nc4noc5ccc(c1cc(Cl)ccc1Oc3cc(F)c(S(=O)(=O)Nc2cscn2)cc3F)cc45

Received at FYIcenter.com on: 2023-07-14

Molecule ID: FYI-1003646 Edit

Molecule Structure InChIKey: YMAOYJAKAGLHIJ-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc4noc5ccc(c1cc(Cl)ccc1Oc3cc(F)c(S(=O)(=O)Nc2cscn2)cc3F)cc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1003646
FYIcenter.com

 35 39  0  0  0  0  0  0  0  0999 V2000
    9.6844    6.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6844    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4720    8.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2595    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2595    6.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4720    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8968    8.5158    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1092    7.8158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8968    9.9158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1092    9.2158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0471    5.7158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8346    6.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8346    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222    8.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4097    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4097    6.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4098    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4098    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222    1.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8347    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8347    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3694    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9389    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3312    0.1464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4721    4.3158    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1972    8.5157    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1092   10.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3882   10.0463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3249   11.0867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6249   12.2992    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.2555   12.0081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4721    9.9158    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 21 26  1  0  0  0  0
 20 24  1  0  0  0  0
 24 27  1  0  0  0  0
  6 28  1  0  0  0  0
 15 29  1  0  0  0  0
  9 30  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 30 34  2  0  0  0  0
 30 31  1  0  0  0  0
  3 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003646-3D
FYIcenter.com

 48 52  0     0  0  0  0  0  0999 V2000
   -1.7668    5.6629    0.9176 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2249   -2.4160    0.4806 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4461    2.5606    0.0172 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0297   -1.4923    2.2633 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0814   -0.5063   -3.0331 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7999    0.2521   -1.1553 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8310   -2.2592    1.1279 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8902   -3.4273    1.4763 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9452   -2.8234   -0.7195 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0890   -1.1523    1.2712 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2399   -2.6280   -0.1479 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6394   -1.8527   -2.3348 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4758    0.1052   -0.7905 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1220    0.7174    0.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1719    1.7653    0.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0428    1.5004   -0.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6995   -0.9520   -0.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7842    0.0588   -0.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7415   -1.6292    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9125   -1.2591    1.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3638    0.3792    1.7573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3750   -0.3707   -0.7728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3954    3.0523    0.6015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2733   -0.6270    2.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8045   -1.2529    0.9638 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4952   -1.3763   -1.3481 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3119   -0.7471   -1.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6212   -0.6238    0.5766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1372    2.5223   -0.9486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5540   -1.8381   -0.9796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4899    4.0741    0.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3608    3.8092   -0.4592 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2544    0.0940    0.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2060    1.3285    1.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5922    1.3515   -1.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6088    0.3230   -1.6631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8393    0.8904    2.5629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2773    3.2693    1.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4657   -0.8972    3.1304 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2072   -1.6557   -2.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1007   -0.3463    1.3393 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7421    2.3386   -1.5601 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9883   -1.0883    2.2926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3518    4.5963   -0.6919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0985   -1.2332   -2.9306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2563   -2.4924   -2.8256 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0456    1.5626    2.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7698    1.6078   -2.2271 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  2  8  2  0  0  0  0
  2  9  2  0  0  0  0
  2 10  1  0  0  0  0
  2 19  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  4 25  1  0  0  0  0
  5 27  1  0  0  0  0
  6 16  1  0  0  0  0
  6 22  1  0  0  0  0
  7 11  1  0  0  0  0
  7 20  1  0  0  0  0
 10 33  1  0  0  0  0
 10 43  1  0  0  0  0
 11 30  2  0  0  0  0
 12 30  1  0  0  0  0
 12 45  1  0  0  0  0
 12 46  1  0  0  0  0
 13 33  1  0  0  0  0
 13 35  2  0  0  0  0
 14 15  1  0  0  0  0
 14 18  2  0  0  0  0
 14 21  1  0  0  0  0
 15 16  2  0  0  0  0
 15 23  1  0  0  0  0
 16 29  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  2  0  0  0  0
 17 30  1  0  0  0  0
 18 36  1  0  0  0  0
 19 25  2  0  0  0  0
 19 26  1  0  0  0  0
 20 24  1  0  0  0  0
 21 24  2  0  0  0  0
 21 37  1  0  0  0  0
 22 27  1  0  0  0  0
 22 28  2  0  0  0  0
 23 31  2  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 28  1  0  0  0  0
 26 27  2  0  0  0  0
 26 40  1  0  0  0  0
 28 41  1  0  0  0  0
 29 32  2  0  0  0  0
 29 42  1  0  0  0  0
 31 32  1  0  0  0  0
 32 44  1  0  0  0  0
 33 34  2  0  0  0  0
 34 47  1  0  0  0  0
 35 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 2482👍, 0💬