Molecule FYI-1006293

A

Molecule Summary:

ID: FYI-1006293
Names:
InChIKey: BHBMWIGRSYWSDH-UHFFFAOYSA-N
SMILES: N#Cc4ccc(NC(=O)NCc3ccc2C(=O)N(C1CCC(=O)NC1=O)Cc2c3)cc4

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

Molecule ID: FYI-1006293 Edit

Molecule Structure InChIKey: BHBMWIGRSYWSDH-UHFFFAOYSA-N

Molecule Structure SMILES String: N#Cc4ccc(NC(=O)NCc3ccc2C(=O)N(C1CCC(=O)NC1=O)Cc2c3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006293
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    7.2747    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3771    5.8367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7466    5.5457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8077    7.1158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4154    6.9693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5077    8.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9077    8.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6077    9.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.6077   11.9655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8077    9.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4077    9.5405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
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 13 12  1  0  0  0  0
 13  8  1  0  0  0  0
 14 13  2  0  0  0  0
 14  5  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  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  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  2  0  0  0  0
 23  2  1  0  0  0  0
 24 23  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
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
 30 27  1  0  0  0  0
 31 30  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006293-3D
FYIcenter.com

 50 53  0     1  0  0  0  0  0999 V2000
   -4.0260   -1.6434    2.3078 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8343   -0.5326   -1.2115 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2712    3.8099   -0.6829 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7336   -0.5909   -1.6105 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7282   -0.1785    0.4774 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5048    1.6508   -0.9356 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4821   -2.6607   -0.6111 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2729   -1.3512   -0.0096 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7160    3.7720    0.3976 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8518    0.7096    0.6152 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7664   -0.0241   -0.6076 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4352   -1.2442    1.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6143    3.0549    0.8723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7382    0.5340   -0.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6828   -1.5108   -1.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5260    2.8994   -0.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5087   -2.9453    1.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0468   -2.6115   -0.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2776   -3.0385   -1.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1957    0.6811    1.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4665   -2.1468    0.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2074    0.9960   -1.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7860    2.7890   -1.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
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  3 19  2  0  0  0  0
  4 24  2  0  0  0  0
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  9 31  3  0  0  0  0
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 10 32  1  0  0  0  0
 11 13  1  0  0  0  0
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 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
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 26 47  1  0  0  0  0
 27 29  2  0  0  0  0
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 28 30  2  0  0  0  0
 28 49  1  0  0  0  0
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 29 50  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-17, 283👍, 0💬