Molecule FYI-1002586

A

Molecule Summary:

ID: FYI-1002586
Names:
InChIKey: FTSXZWKHGHKBRD-UHFFFAOYSA-N
SMILES: Cc3cccc(NC(=O)c1ccccc1NC(=O)c2ccc(Cl)nc2)c3

Received at FYIcenter.com on: 2023-04-10

Molecule ID: FYI-1002586 Edit

Molecule Structure InChIKey: FTSXZWKHGHKBRD-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cccc(NC(=O)c1ccccc1NC(=O)c2ccc(Cl)nc2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002586
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   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
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 N   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
    8.4871    0.0000    0.0000 Cl  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  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
 26 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002586-3D
FYIcenter.com

 42 44  0     0  0  0  0  0  0999 V2000
   -6.1609   -0.1273    0.5899 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    0.6732    1.8095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7549   -3.6267   -0.6474 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5873    1.0860   -0.2315 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3224   -1.6330   -0.0221 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4548   -2.0739    0.4466 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6643   -1.0328    0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6785   -1.9609   -0.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0967    2.4046   -0.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3211    0.3113    0.6757 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0114   -1.3833    0.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0398   -3.2395   -0.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1045    4.3139   -0.9312 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3789    3.0157   -1.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3310    3.0916    1.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3728   -2.6620   -0.2859 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3870   -3.5901   -0.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1297    5.0011    0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8476    4.3899    1.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7794   -2.4545   -0.2875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1082   -1.8222   -0.0781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8719    4.9682   -2.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2749   -0.4468   -0.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2197   -2.5847    0.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5303    0.1158    0.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5782   -0.7333    0.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3713    0.6615   -1.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7905   -0.6697    0.3946 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448   -4.0157   -0.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1962    2.4812   -2.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1358   -0.6973    0.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8769    2.6867    1.9651 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4217   -2.9347   -0.3563 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6700   -4.5849   -0.9530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2400    6.0136    0.3988 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0297    4.9260    2.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5771    5.7079   -1.6359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4594    4.2335   -2.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1863    5.4710   -2.7192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4646    0.2171   -0.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1594   -3.6628    0.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6721    1.1869   -0.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
  2 10  2  0  0  0  0
  3 20  2  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 27  1  0  0  0  0
  5  8  1  0  0  0  0
  5 20  1  0  0  0  0
  5 31  1  0  0  0  0
  6 24  1  0  0  0  0
  6 26  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 14  1  0  0  0  0
  9 15  2  0  0  0  0
 11 16  1  0  0  0  0
 11 28  1  0  0  0  0
 12 17  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 13 22  1  0  0  0  0
 14 30  1  0  0  0  0
 15 19  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  2  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  2  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 25  2  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-17, 827👍, 0💬