Molecule FYI-1004181

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A

Molecule Summary:

ID: FYI-1004181
Names:
InChIKey: ZJDAHCUQBAMZCC-UHFFFAOYSA-N
SMILES: CC3c1ccccc1C(O)c2ccc(N)cc23

Received at FYIcenter.com on: 2023-08-21

Molecule ID: FYI-1004181 Edit

Molecule Structure InChIKey: ZJDAHCUQBAMZCC-UHFFFAOYSA-N

Molecule Structure SMILES String: CC3c1ccccc1C(O)c2ccc(N)cc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1004181
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    2.4249    4.9000    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
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   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
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  2  0  0  0  0
  1  4  2  0  0  0  0
  5  3  1  0  0  0  0
  4  7  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
  4 12  1  0  0  0  0
 13 11  1  0  0  0  0
  6 12  1  0  0  0  0
 15 13  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 12 14  1  0  0  0  0
 14 17  2  0  0  0  0
 14 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004181-3D
FYIcenter.com

 32 34  0  0  1  0  0  0  0  0999 V2000
    0.7378   -0.0435   -0.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2784   -0.0431   -0.1490 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8125    1.2366    0.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4923    2.4774   -0.1081 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9105    3.6781    0.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6721    3.6607    1.6258 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0246    2.4419    2.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6053    1.2207    1.6378 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0500   -0.0681    2.2884 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5884   -0.0832    3.6397 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5949   -1.3423    1.6177 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0078   -2.5753    2.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6396   -3.7822    1.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8301   -3.7902    0.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5666   -4.9874   -0.2529 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4754   -2.5659   -0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8048   -1.3348    0.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3091    0.8538   -0.5492 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3818   -0.0901    0.9439 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3129   -0.8999   -0.6263 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5996   -0.0348   -1.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8993    2.5160   -1.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6370    4.6244    0.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9965    4.5928    2.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6319    2.4383    3.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1475   -0.0735    2.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6215   -0.0009    3.5822 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6294   -2.5951    3.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9945   -4.7149    1.9849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5599   -5.8009    0.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7447   -4.9486   -0.8468 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9140   -2.5666   -1.0799 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  2  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  2  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
M  END
$$$$

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2023-08-25, 2118👍, 0💬