Molecule FYI-1003603

A

Molecule Summary:

ID: FYI-1003603
Names:
InChIKey: UZJAZMZBFBQJCV-UHFFFAOYSA-N
SMILES: Nc4noc5ccc(c1cc(Cl)ccc1Oc3cc(F)c(S(=O)(=O)Nc2cncs2)cc3F)cc45

Received at FYIcenter.com on: 2023-07-10

Molecule ID: FYI-1003603 Edit

Molecule Structure InChIKey: UZJAZMZBFBQJCV-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc4noc5ccc(c1cc(Cl)ccc1Oc3cc(F)c(S(=O)(=O)Nc2cncs2)cc3F)cc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1003603
FYIcenter.com

 35 39  0  0  0  0  0  0  0  0999 V2000
    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
    2.4098    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4098    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
    6.0471    5.7158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1986    6.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4640    5.9132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6154    6.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5015    8.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2361    8.7039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0846    7.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1973    8.5158    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.6529    8.9013    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.9183    8.3023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5389   10.2966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8043    9.6977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0697    9.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5780    4.5178    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4098    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4098    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6222    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8346    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8346    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1222   10.0992    0.0000 F   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
    1.9388    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3311    0.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5701    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3289    7.7229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7174    7.5442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3164    8.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2981    9.7703    0.0000 S   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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  8 13  1  0  0  0  0
  8  9  2  0  0  0  0
  4 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
 18 19  1  0  0  0  0
  9 20  1  0  0  0  0
  6 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 21 26  1  0  0  0  0
 21 22  2  0  0  0  0
 12 27  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 24 30  1  0  0  0  0
 23 28  1  0  0  0  0
 28 31  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 19 35  1  0  0  0  0
 19 32  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003603-3D
FYIcenter.com

 48 52  0  0  0  0  0  0  0  0999 V2000
    2.1685   -3.3932   -0.4119 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3110   -2.5699    0.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1863   -2.9722    0.8162 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3906   -1.8259    1.3452 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3895   -0.7550    1.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1419    0.5580    1.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1049    1.4977    0.9995 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2875    1.1540    0.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3612    2.1742    0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5579    3.1470    1.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5573    4.1184    1.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6917    5.3045    2.2409 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4482    4.1138   -0.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3173    3.1521   -1.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2465    2.2305   -1.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0881    1.3476   -2.1083 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4939    1.7194   -3.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2768    2.9930   -3.9202 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6854    3.2852   -5.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5325    4.5402   -5.6669 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2556    2.3060   -6.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5093    2.6243   -7.7648 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.5733    1.3379   -8.4335 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5407    3.6175   -8.1738 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0353    3.3629   -7.8536 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1298    2.5503   -7.4481 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7056    1.5375   -8.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7698    0.9016   -7.5668 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9870    1.4610   -6.3959 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9764    2.7901   -5.9929 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4662    1.0231   -5.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0910    0.7465   -4.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3058   -0.4862   -3.7103 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4553   -0.2034   -0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4972   -1.1681    0.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8576   -4.3401   -0.5946 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8341   -3.0373   -1.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7282    0.8363    1.9912 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9189    2.5315    1.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9338    3.1440    1.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2462    4.8488   -0.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0611    3.1449   -1.8400 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    3.7744   -3.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9893    4.2896   -7.4295 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4135    1.2293   -9.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7631    1.1162   -5.7249 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8936    0.2297   -6.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3481   -0.5397   -0.5784 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  2  3  2  0  0  0  0
  2 35  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  2  0  0  0  0
  6  7  2  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  2  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 41  1  0  0  0  0
 14 15  1  0  0  0  0
 14 42  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 32  2  0  0  0  0
 18 19  2  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 31  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  2  0  0  0  0
 26 30  1  0  0  0  0
 27 28  1  0  0  0  0
 27 45  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 46  1  0  0  0  0
 31 32  1  0  0  0  0
 31 47  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  1  0  0  0  0
 34 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 650👍, 0💬