Molecule FYI-1014227

A

Molecule Summary:

ID: FYI-1014227
Names:
InChIKey: QDQANSGNNBYYPT-GCNYQIMJSA-N
SMILES: CC[C@H]4[C@@H](C)[C@H](Nc1ccc(Cl)cc1)c3cc(c2ccc(C(=O)O)cc2)ccc3N4C(C)=O

Received at FYIcenter.com on: 2025-03-12

Molecule ID: FYI-1014227 Edit

Molecule Structure InChIKey: QDQANSGNNBYYPT-GCNYQIMJSA-N

Molecule Structure SMILES String: CC[C@H]4[C@@H](C)[C@H](Nc1ccc(Cl)cc1)c3cc(c2ccc(C(=O)O)cc2)ccc3N4C(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014227
FYIcenter.com

 33 36  0  0  1  0  0  0  0  0999 V2000
   12.1243    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    9.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.3999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    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
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   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
    1.2124    1.4000    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
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  6  0  0  0
  4  3  1  0  0  0  0
  4  5  1  6  0  0  0
  6  4  1  0  0  0  0
  6  7  1  1  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  6  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  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
 26 25  2  0  0  0  0
 26 21  1  0  0  0  0
 27 24  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  2  0  0  0  0
 30 16  1  0  0  0  0
 30  3  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 31  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014227-3D
FYIcenter.com

 60 63  0  0  1  0  0  0  0  0999 V2000
    5.4744   -0.5667   -0.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -1.5180   -0.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0975   -1.3974    0.4996 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9183   -2.3432    0.1646 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2110   -1.8850   -1.1119 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4639   -3.7820    0.1734 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4254   -4.8056   -0.0639 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0722   -5.1444   -1.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9862   -5.1406   -2.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5676   -5.3217   -3.7621 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2311   -5.5832   -4.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3110   -5.6861   -5.6578 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6667   -5.7466   -2.9801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2411   -5.5453   -1.6597 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2054   -4.0375    1.4929 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4622   -5.3736    1.8793 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2398   -5.6976    3.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4512   -7.0978    3.4318 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5242   -8.1527    2.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6928   -9.4775    2.9237 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8025   -9.7811    4.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9934  -11.1975    4.6705 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5285  -12.0186    3.9381 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4787  -11.5167    5.8758 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7680   -8.7490    5.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5825   -7.4298    4.7962 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8229   -4.6279    3.6915 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5941   -3.2994    3.3213 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7412   -2.9736    2.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4696   -1.6106    1.9107 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5291   -0.4643    2.7111 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7361   -0.5428    4.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3767    0.6686    2.2338 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2950   -0.6707   -0.7781 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8817   -0.7971    0.9295 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1387    0.4733   -0.0704 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7719   -2.5244   -0.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0454   -1.3315   -1.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7215   -0.3746    0.3774 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1698   -2.2528    0.9678 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8303   -2.0176   -2.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9545   -0.8205   -1.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2665   -2.4174   -1.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2348   -3.8805   -0.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6365   -4.7276    0.5715 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0462   -4.9781   -2.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2895   -5.2387   -4.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7031   -6.0034   -3.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9660   -5.6638   -0.8583 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0317   -6.1735    1.2769 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4606   -7.9590    1.4366 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7443  -10.2707    2.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9225  -10.8332    6.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9171   -8.9382    6.2795 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5369   -6.6499    5.5563 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4947   -4.8096    4.5279 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1574   -2.5427    3.8562 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4549   -1.4963    4.6429 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0945    0.2063    4.6784 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7782   -0.2937    4.4237 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  2 37  1  0  0  0  0
  2 38  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3  2  1  0  0  0  0
  3 39  1  6  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 40  1  1  0  0  0
  5 41  1  0  0  0  0
  5 42  1  0  0  0  0
  5 43  1  0  0  0  0
  6 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6 44  1  6  0  0  0
  7  8  1  0  0  0  0
  7 45  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 46  1  0  0  0  0
 10 11  1  0  0  0  0
 10 47  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 48  1  0  0  0  0
 14 49  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  2  0  0  0  0
 16 17  2  0  0  0  0
 16 50  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 19  1  0  0  0  0
 18 26  2  0  0  0  0
 19 20  2  0  0  0  0
 19 51  1  0  0  0  0
 20 21  1  0  0  0  0
 20 52  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 53  1  0  0  0  0
 25 26  1  0  0  0  0
 25 54  1  0  0  0  0
 26 55  1  0  0  0  0
 27 28  2  0  0  0  0
 27 56  1  0  0  0  0
 28 29  1  0  0  0  0
 28 57  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 58  1  0  0  0  0
 32 59  1  0  0  0  0
 32 60  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-11, 902👍, 0💬