Molecule FYI-1004282

A

Molecule Summary:

ID: FYI-1004282
Names:
InChIKey: BAYKIMKXXBPZEQ-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)Nc3cccc(NC(=O)c1cccc2[nH]cnc12)c3

Received at FYIcenter.com on: 2023-08-25

Molecule ID: FYI-1004282 Edit

Molecule Structure InChIKey: BAYKIMKXXBPZEQ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)OC(=O)Nc3cccc(NC(=O)c1cccc2[nH]cnc12)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004282
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
    9.1871    9.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871    7.1876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    8.4000    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
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   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
    0.0000    4.9000    0.0000 O   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
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    3.7563    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5793    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    2.5326    0.0000 N   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
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
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 13 12  1  0  0  0  0
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 17 15  1  0  0  0  0
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 25 17  1  0  0  0  0
 25 21  2  0  0  0  0
 26 13  2  0  0  0  0
 26  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004282-3D
FYIcenter.com

 46 48  0  0  0  0  0  0  0  0999 V2000
    3.3027    0.7138   -1.3052 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6632   -0.0230   -0.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7538    0.8065    1.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1697   -0.1952   -0.4328 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2217   -1.3701    0.0549 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5503   -1.4467    0.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2577   -0.4448    0.4670 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0190   -2.7499    0.4509 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3593   -3.0900    0.8082 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2083   -2.1481    1.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5359   -2.4436    1.6940 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0320   -3.7205    1.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2265   -4.7053    0.8147 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7270   -5.9986    0.5257 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0532   -6.4047    0.6706 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0009   -5.6856    0.9803 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3637   -7.8440    0.5153 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6611   -8.3160    0.8234 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9559   -9.6818    0.8835 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9484  -10.6331    0.7294 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7054  -10.1424    0.3308 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4898  -10.7386    0.1193 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7879   -9.8954   -0.6936 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1868   -8.6586   -0.4945 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.4562   -7.5998    1.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9760  -10.0007    1.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9961  -10.2369   -1.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2171   -5.1370    0.1143 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  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
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  2  0  0  0  0
 10 11  2  0  0  0  0
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 11 12  1  0  0  0  0
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 14 40  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 25  2  0  0  0  0
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 19 20  1  0  0  0  0
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 20 21  2  0  0  0  0
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 21 22  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  2  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 26 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-07, 1862👍, 0💬