Molecule FYI-1001398

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Molecule Summary:

ID: FYI-1001398
SMILES: OC(=O)CNC(=O)C1N(Cc2ccccc2)C(=O)c2ccccc12

Received at FYIcenter.com on: 2022-07-05

Molecule ID: FYI-1001398 Edit

Molecule Structure SMILES String: OC(=O)CNC(=O)C1N(Cc2ccccc2)C(=O)c2ccccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1001398
FYIcenter.com

 40 42  0  0  0  0  0  0  0  0999 V2000
    5.6692    2.2759   -0.3356 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5187    1.7750    0.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2960    1.7977    1.3284 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5049    1.1845   -0.8046 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3458    0.7105   -0.0443 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3063    0.1408   -0.6856 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3304    0.0206   -1.8922 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1140   -0.3467    0.0966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0852   -0.3287   -0.7487 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6660    0.8586   -1.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5758    1.5546   -0.4015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0911    2.5884    0.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9257    3.2269    1.2759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2450    2.8318    1.3946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7300    1.7986    0.6147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8965    1.1630   -0.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5628   -1.5813   -0.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3174   -1.7829    0.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2885    2.6439    0.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5468    4.0341    1.8852 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9213   -4.2779    2.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0564   -1.8450    1.7421 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
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  9 10  1  0  0  0  0
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 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001398-3D
FYIcenter.com

 40 42  0  0  1  0  0  0  0  0999 V2000
    3.0741   -2.4421   -0.6455 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5538   -1.2892   -0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6640   -0.6745   -0.7293 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1411   -0.8752    1.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5879   -0.7469    1.1014 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4306   -1.8199    1.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9620   -2.9439    1.4522 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9480   -1.5354    1.1346 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2741   -0.1491    0.7686 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1440    0.9766    1.6794 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3720    1.1980    2.5188 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3660    2.0894    2.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5195    2.2822    2.8438 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6901    1.5920    4.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7075    0.7046    4.4831 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5525    0.5089    3.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0299   -0.0757   -0.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5034    0.9115   -0.9203 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1789   -1.4449   -0.8963 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8141   -1.8828   -2.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7812   -3.2529   -2.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1351   -4.1397   -1.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5175   -3.6730   -0.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5420   -2.3125   -0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7042   -2.8645   -0.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4525   -1.7838    2.0736 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9448    1.8729    1.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2495    2.6253    1.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2855    2.9696    2.4954 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5962    1.7323    4.6229 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8450    0.1672    5.4157 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7965   -0.1829    4.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2549   -3.6356   -3.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1104   -5.2013   -1.6724 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0211   -4.3715    0.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  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 24  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  2  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
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 19 24  2  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  2  0  0  0  0
 22 39  1  0  0  0  0
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 23 40  1  0  0  0  0
M  END
$$$$

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2022-10-07, 429👍, 0💬