Molecule Editor

Molecule ID: FYI-1003018 Edit

Molecule Structure InChIKey: OMCSXMZHFIGQIK-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(C)C(C)CCNc2c(F)c(SCc1ccc(C(=O)O)cc1)c(F)c(F)c2S(N)(=O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003018
FYIcenter.com

 33 34  0  0  0  0  0  0  0  0999 V2000
    8.4871    9.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   10.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373   10.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    7.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  6  2  0  0  0  0
 10  5  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 10  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  2  0  0  0  0
 22  2  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 29  2  0  0  0  0
 32 28  1  0  0  0  0
 33 32  2  0  0  0  0
 33 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003018-3D
FYIcenter.com

 60 61  0  0  1  0  0  0  0  0999 V2000
    0.4264   -5.6529    1.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9378   -5.7726    1.3395 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7163   -4.4665    1.0420 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2724   -3.3608    2.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2717   -4.6941    1.0820 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6939   -5.7892    0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0389   -3.3700    0.8102 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5646   -3.4166    0.9183 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1845   -4.1670   -0.1597 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5498   -4.4297   -0.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4671   -3.8937    0.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0248   -3.0354    1.6440 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8385   -4.1749    0.6863 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9858   -3.3243    1.7635 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.3830   -3.8629    3.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2391   -3.3137    4.5218 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6838   -2.4805    5.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4617   -2.0179    6.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8146   -2.3682    6.6586 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6798   -1.9512    7.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6219   -2.6174    8.1827 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3523   -0.7576    8.3315 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3753   -3.1962    5.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5932   -3.6677    4.6247 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3055   -5.0654   -0.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6089   -5.3737   -0.3352 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4372   -5.6521   -1.1825 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9389   -6.5189   -2.0752 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.0795   -5.3291   -1.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1044   -6.1144   -2.4166 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.8871   -5.6708   -3.8372 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2361   -7.5451   -2.2860 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8182   -5.4580   -2.5170 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0329   -6.6410    1.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1569   -5.2625    0.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0070   -5.0074    1.9672 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2331   -6.5585    0.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1852   -6.1318    2.3456 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4518   -4.1381    0.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5498   -3.6097    3.0456 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1912   -3.2020    1.9828 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7109   -2.3915    1.7644 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5381   -5.0392    2.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5242   -5.4645   -0.9421 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1636   -6.7301    0.2398 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7450   -6.0573    0.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7372   -2.6346    1.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7444   -2.9626   -0.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8324   -3.8481    1.8897 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9286   -2.3830    0.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6504   -4.2478   -1.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3919   -4.9576    3.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3462   -3.5390    3.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6320   -2.2021    5.4598 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9820   -1.4231    7.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7116   -0.2344    7.8187 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4220   -3.4897    5.7451 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0500   -4.3195    3.8814 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3003   -6.4910   -4.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2478   -5.1477   -4.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2 37  1  0  0  0  0
  2 38  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 39  1  0  0  0  0
  4 40  1  0  0  0  0
  4 41  1  0  0  0  0
  4 42  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 43  1  0  0  0  0
  6 44  1  0  0  0  0
  6 45  1  0  0  0  0
  6 46  1  0  0  0  0
  7  8  1  0  0  0  0
  7 47  1  0  0  0  0
  7 48  1  0  0  0  0
  8  9  1  0  0  0  0
  8 49  1  0  0  0  0
  8 50  1  0  0  0  0
  9 10  1  0  0  0  0
  9 51  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 52  1  0  0  0  0
 15 53  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  2  0  0  0  0
 17 18  2  0  0  0  0
 17 54  1  0  0  0  0
 18 19  1  0  0  0  0
 18 55  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  2  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 56  1  0  0  0  0
 23 24  1  0  0  0  0
 23 57  1  0  0  0  0
 24 58  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 30 33  2  0  0  0  0
 31 59  1  0  0  0  0
 31 60  1  0  0  0  0
M  END
$$$$