Molecule FYI-1004958

A

Molecule Summary:

ID: FYI-1004958
Names:
InChIKey: AYCPARAPKDAOEN-LJQANCHMSA-N
SMILES: Cc5nc(Nc1n[nH]c3c1CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c4sccc4n5

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

Molecule ID: FYI-1004958 Edit

Molecule Structure InChIKey: AYCPARAPKDAOEN-LJQANCHMSA-N

Molecule Structure SMILES String: Cc5nc(Nc1n[nH]c3c1CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c4sccc4n5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004958
FYIcenter.com

 35 39  0  0  1  0  0  0  0  0999 V2000
   10.9347    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2258    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5572    1.8020    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8483    3.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8079    4.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4764    3.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1853    2.3062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4361    4.6123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7272    5.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0061    6.5511    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8598    7.9435    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    8.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4209    7.3132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5536    9.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903   10.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1209   10.6065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622   10.8055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   11.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   12.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   13.6055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249   11.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3774    5.3872    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   13.7697    5.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0607    3.8714    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  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
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 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
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 18 16  1  0  0  0  0
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 21 19  1  0  0  0  0
 22 21  1  6  0  0  0
 23 22  1  0  0  0  0
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 32 27  1  0  0  0  0
 33  5  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 35  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004958-3D
FYIcenter.com

 65 69  0     1  0  0  0  0  0999 V2000
    3.8878   -2.9826   -0.1775 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6261    2.0252    0.5731 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3779    1.4804    0.3697 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7244    3.3263    0.1543 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8081    2.5171    0.0452 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2960    0.7760   -0.2041 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1063   -0.8193   -0.3942 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7418    1.1703    0.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3758   -0.6962    0.5783 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4225   -2.0424    1.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0169   -0.7924   -0.7916 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3844   -0.2152   -0.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 18  2  0  0  0  0
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M  END
$$$$

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2023-10-13, 1913👍, 0💬