Molecule FYI-1013883

A

Molecule Summary:

ID: FYI-1013883
Names:
InChIKey: NRPKZCPJNGGKDF-UVTDQMKNSA-N
SMILES: Cn4c(=O)c(=CC2C=Nc1ccccc1N2)c3ccccc34

Received at FYIcenter.com on: 2025-02-08

Molecule ID: FYI-1013883 Edit

Molecule Structure InChIKey: NRPKZCPJNGGKDF-UVTDQMKNSA-N

Molecule Structure SMILES String: Cn4c(=O)c(=CC2C=Nc1ccccc1N2)c3ccccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1013883
FYIcenter.com

 22 25  0  0  0  0  0  0  0  0999 V2000
    6.0329    3.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    3.5843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7038    4.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6344    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0671    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4364    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3732    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.8552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9949    5.9941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
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 10  5  1  0  0  0  0
 11  4  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
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 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 21 12  1  0  0  0  0
 22  3  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013883-3D
FYIcenter.com

 37 40  0  0  1  0  0  0  0  0999 V2000
    1.2361   -2.3842    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6668   -1.0748    0.1472 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4189    0.0554    0.4198 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6033    0.1281    0.6908 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4589    1.2061    0.2324 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0115    2.4240    0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4527    3.7804   -0.1514 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4180    4.5011   -1.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4916    5.1331   -0.7252 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7088    5.1545    0.6717 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9989    5.3772    1.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2639    5.2934    2.5183 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2290    5.0297    3.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9291    4.8451    2.9615 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6687    4.8535    1.5885 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3621    4.5327    1.1115 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8718    0.6415    0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1411    1.1755   -0.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1895    0.3056   -0.4715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9658   -1.0726   -0.6416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7004   -1.6163   -0.4284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6756   -0.7480   -0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3254   -2.3331    0.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9920   -2.7753   -0.9813 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0922    2.4523    0.3324 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1973    4.4336   -2.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8045    5.5711    0.4495 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2805    5.4158    2.8809 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4427    4.9480    4.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1345    4.6196    3.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1800    4.0495    1.8173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3398    2.2326    0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1941    0.6983   -0.6214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7852   -1.7228   -0.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5315   -2.6814   -0.5382 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  3  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  2  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  2  0  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1055👍, 0💬