Molecule FYI-1004253

A

Molecule Summary:

ID: FYI-1004253
Names:
InChIKey: OYBOIAASGACMNP-UHFFFAOYSA-N
SMILES: CC(C)(C)NC(=O)CN(C(=O)Cc1ccc(C(=O)NO)cc1F)c2ccccc2Cl

Received at FYIcenter.com on: 2023-08-23

Molecule ID: FYI-1004253 Edit

Molecule Structure InChIKey: OYBOIAASGACMNP-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)NC(=O)CN(C(=O)Cc1ccc(C(=O)NO)cc1F)c2ccccc2Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1004253
FYIcenter.com

 30 31  0  0  0  0  0  0  0  0999 V2000
    3.6374    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   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
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   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
    4.8498    2.1000    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
    6.0622    0.0000    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
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  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  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  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 12  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  2  0  0  0  0
 17  7  1  0  0  0  0
 18  5  2  0  0  0  0
 19  4  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 26  2  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
 30 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004253-3D
FYIcenter.com

 53 54  0  0  0  0  0  0  0  0999 V2000
    2.0683   -3.7913    3.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2688   -4.7895    2.7405 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0474   -6.0275    3.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -5.2804    2.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9729   -4.1471    1.6019 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2359   -3.5847    1.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8253   -3.5312    2.8099 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8838   -2.9990    0.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3642   -3.1126    0.4494 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1870   -1.9618    0.4548 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7233   -0.8211    0.4154 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7033   -2.2290    0.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6898   -1.2138   -0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4211   -0.3219   -1.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4333    0.5184   -1.5526 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7252    0.4747   -1.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7674    1.3972   -1.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7176    1.8388   -2.6747 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7558    1.7632   -0.6432 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6354    2.7736   -1.0997 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0193   -0.4508   -0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0076   -1.2798    0.4625 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3265   -2.1916    1.3939 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9107   -4.3982    0.7088 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5204   -4.6375    1.9548 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2267   -5.8065    2.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3236   -6.7699    1.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6948   -6.5687   -0.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9890   -5.3917   -0.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3413   -5.1543   -1.8667 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5373   -4.2537    4.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4849   -2.9264    3.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0127   -3.4110    4.2905 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5740   -6.4651    4.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0827   -5.7996    3.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0748   -6.8067    2.4575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3422   -5.7330    3.1683 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9196   -6.0374    1.5267 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2451   -4.4565    1.9493 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4672   -4.0383    0.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5905   -1.9414    0.4136 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4850   -3.4870   -0.4415 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9331   -3.1465   -0.0425 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9346   -2.3792    1.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4300   -0.2690   -1.5102 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2079    1.2105   -2.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6449    1.6931    0.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3249    2.9202   -2.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0212   -0.5734    0.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4500   -3.8858    2.7446 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7170   -5.9537    3.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8975   -7.6786    1.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7900   -7.3292   -0.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 34  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 41  1  0  0  0  0
  8 42  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 14  1  0  0  0  0
 13 22  2  0  0  0  0
 14 15  2  0  0  0  0
 14 45  1  0  0  0  0
 15 16  1  0  0  0  0
 15 46  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 47  1  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 29  2  0  0  0  0
 25 26  2  0  0  0  0
 25 50  1  0  0  0  0
 26 27  1  0  0  0  0
 26 51  1  0  0  0  0
 27 28  2  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
M  END
$$$$

✍: FYIcenter.com

2023-09-16, 2423👍, 0💬