Molecule FYI-1015429

A

Molecule Summary:

ID: FYI-1015429
Names:
InChIKey: PNLBNJGZKXQLRK-BJMVGYQFSA-N
SMILES: Cc2c(C(=O)/C=C/c1ccc(Br)cc1)nnn2c4ccc3c(cnn3C)c4

Received at FYIcenter.com on: 2025-09-02

Molecule ID: FYI-1015429 Edit

Molecule Structure InChIKey: PNLBNJGZKXQLRK-BJMVGYQFSA-N

Molecule Structure SMILES String: Cc2c(C(=O)/C=C/c1ccc(Br)cc1)nnn2c4ccc3c(cnn3C)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015429
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
   10.0571    4.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7659    2.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.3477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1477    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6333    0.8554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    0.5643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    1.7767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    1.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6645    3.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0569    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8797    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3103    0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3508    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5632    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2721    2.0693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.2088    3.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9180    0.7904    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  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 14  8  1  0  0  0  0
 15  3  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 17  2  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 25 21  1  0  0  0  0
 26 25  1  0  0  0  0
 27 22  2  0  0  0  0
 27 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015429-3D
FYIcenter.com

 43 46  0  0  0  0  0  0  0  0999 V2000
    0.4708    0.0341   -0.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9208    0.1427    0.2193 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9508   -0.7911    0.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8772   -2.2412   -0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8370   -2.8675   -0.1967 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2169   -2.8953    0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4144   -4.2033   -0.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7812   -4.7289   -0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2763   -5.1686    1.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6091   -5.5703    1.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4497   -5.5320    0.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2605   -6.0485    0.3095 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.9680   -5.1027   -1.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6340   -4.6999   -1.2265 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1425   -0.1285    0.3464 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9044    1.1679    0.4196 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5665    1.3513    0.4589 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0137    2.6410    0.6269 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6578    3.7470    0.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0522    5.0108    0.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7969    5.1236    0.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1779    4.0494    1.3096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0380    4.5658    1.8021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2043    5.8549    1.5047 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0790    6.1728    0.8329 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1022    7.5279    0.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8050    2.7952    1.3193 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2016   -0.9551   -0.4677 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2022    0.7556   -0.8739 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0697   -2.2609    0.2322 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6112   -4.9006   -0.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6338   -5.1822    1.9954 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9833   -5.8938    2.2116 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2749   -4.3458   -2.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6085    3.6263   -0.4656 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5285    5.8548   -0.4282 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8392    8.0747    0.4758 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3994    7.5073   -0.6793 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8751    7.9939    0.9868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3496    1.9816    1.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  2  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  2  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  2  0  0  0  0
 19 20  2  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  2  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
M  END
$$$$

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2025-11-06, 678👍, 0💬