Molecule FYI-1001692

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A

Molecule Summary:

ID: FYI-1001692
SMILES: C1COCC(=O)N1C2=CC=C(C=C2)N3CC(OC3=O)CNC(=O)C4=CC=C(S4)Cl

Received at FYIcenter.com on: 2022-11-08

Molecule ID: FYI-1001692 Edit

Molecule Structure SMILES String: C1COCC(=O)N1C2=CC=C(C=C2)N3CC(OC3=O)CNC(=O)C4=CC=C(S4)Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1001692
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
   15.6734    1.9441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0657    2.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6352    3.3694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8122    4.5021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4199    4.3558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5970    5.4883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8505    3.0768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4581    2.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6352    4.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2430    3.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6735    2.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4964    1.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8887    1.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2812    2.4914    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3444    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2117    1.5700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5812    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1506    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.9624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    1.5700    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 10  9  1  0  0  0  0
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 12 11  1  0  0  0  0
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 13  8  1  0  0  0  0
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 15 14  1  0  0  0  0
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 18 14  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 28 24  1  0  0  0  0
 29 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001692-3D
FYIcenter.com

 47 50  0  0  1  0  0  0  0  0999 V2000
    0.9297    0.9843    0.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6848   -0.2090    0.3608 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8949   -1.3790    0.5466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2998   -1.2769   -0.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0977    0.0422   -0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2592    0.0656   -0.5770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4066    1.1489    0.3495 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1078    2.3609    0.6265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9759    2.9925    1.8650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7202    4.1376    2.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5884    4.7130    1.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6691    4.1112   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9574    2.9379   -0.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3946    5.8354    1.5723 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2825    6.4653    0.6408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1389    7.3507    1.5205 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.3481    7.5405    2.7027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4011    6.5476    2.7641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7191    6.3881    3.7635 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4642    6.6640    1.8831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3060    7.4817    2.7357 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1129    8.4877    2.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
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  -10.0946   10.5474    2.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
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  4 35  1  0  0  0  0
  5  6  2  0  0  0  0
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 26 27  2  0  0  0  0
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 27 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-11-21, 429👍, 0💬