Molecule FYI-1006284

A

Molecule Summary:

ID: FYI-1006284
Names:
InChIKey: DOEVCIHTTTYVCC-UHFFFAOYSA-N
SMILES: Cc4ccc(NC(=O)NCc3ccc2C(=O)N(C1CCC(=O)NC1=O)Cc2c3)cc4Cl

Received at FYIcenter.com on: 2023-12-08

Molecule ID: FYI-1006284 Edit

Molecule Structure InChIKey: DOEVCIHTTTYVCC-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4ccc(NC(=O)NCc3ccc2C(=O)N(C1CCC(=O)NC1=O)Cc2c3)cc4Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1006284
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
   15.3953   11.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1829   10.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9705   11.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9705   12.6655    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.7580   10.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7580    9.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5456    8.4655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3332    9.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3332   10.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1208    8.4655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9083    9.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6959    8.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4835    9.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2709    8.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2709    7.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2306    6.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8613    6.4198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    4.8497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1924    4.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4835    6.3655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6959    7.0655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9705    8.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1829    9.1655    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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  2  0  0  0  0
 21 12  1  0  0  0  0
 22 18  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 25  1  0  0  0  0
 28 27  1  0  0  0  0
 28 22  1  0  0  0  0
 29 28  2  0  0  0  0
 30  6  1  0  0  0  0
 31 30  2  0  0  0  0
 31  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006284-3D
FYIcenter.com

 52 55  0     1  0  0  0  0  0999 V2000
    8.5438    1.0173    1.8835 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.9044   -1.7052    2.3383 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8320   -0.6954   -1.1397 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4505    3.5823   -0.6062 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7256   -0.3741   -1.7176 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7069   -0.2350    0.4986 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5937    1.4580   -0.8626 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5835   -2.4491   -0.7077 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3280   -1.0618   -0.1459 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8656    0.6032    0.6561 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7745   -0.0428   -0.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4738    2.0665    0.7844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7714   -1.1161   -0.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1112   -1.8427    0.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3506   -1.2835    1.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7263    2.9140    0.9150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7704    0.3791   -0.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6366   -1.4385   -1.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6571    2.7088   -0.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3528   -2.8989    1.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1495   -2.5043   -0.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2057   -3.2278    0.5305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3828   -2.8808   -1.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1804   -1.2014   -0.9313 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2068    0.0447   -0.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3147    0.0082    0.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9663    1.1719   -0.8675 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9414    2.2260    0.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1820    1.0988    0.8258 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8336    2.2627   -0.8064 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8452    3.4161    0.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4192    0.2819    1.5470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2783   -0.1840   -1.5650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3063    0.9423   -0.5378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8264    2.2160    1.6563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9151    2.4083   -0.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2725    2.6653    1.8318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4507    3.9733    0.9587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3692   -0.8745   -1.9612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2272    1.3130   -1.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6285   -3.4546    2.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4141   -4.0544    0.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3669   -2.4649   -2.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4384   -3.9702   -1.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0040   -3.0735   -0.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5679   -1.8465    0.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5001   -0.8727    1.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1312    1.2752   -1.5459 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6310    3.1332   -1.4250 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5068    4.2072   -0.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8588    3.1392   -0.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8741    3.8455    1.0846 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 29  1  0  0  0  0
  2 15  2  0  0  0  0
  3 17  2  0  0  0  0
  4 19  2  0  0  0  0
  5 24  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 15  1  0  0  0  0
  7 17  1  0  0  0  0
  7 19  1  0  0  0  0
  7 40  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 45  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 46  1  0  0  0  0
 10 12  1  0  0  0  0
 10 17  1  0  0  0  0
 10 32  1  0  0  0  0
 11 13  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 16  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 16 19  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 18 21  2  0  0  0  0
 18 39  1  0  0  0  0
 20 22  2  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 29  1  0  0  0  0
 26 47  1  0  0  0  0
 27 30  2  0  0  0  0
 27 48  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
 30 49  1  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-14, 1567👍, 0💬