Molecule FYI-1015836

A

Molecule Summary:

ID: FYI-1015836
Names:
InChIKey: TYJMSARGRKPOBM-BHHNILQKSA-N
SMILES: Cc1ccccc1c4ccc3nc(N)c(C[C@@H](C)C(=O)N[C@@H]2CCOC(C)C2)cc3c4

Received at FYIcenter.com on: 2025-10-19

Molecule ID: FYI-1015836 Edit

Molecule Structure InChIKey: TYJMSARGRKPOBM-BHHNILQKSA-N

Molecule Structure SMILES String: Cc1ccccc1c4ccc3nc(N)c(C[C@@H](C)C(=O)N[C@@H]2CCOC(C)C2)cc3c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015836
FYIcenter.com

 31 34  0  0  1  0  0  0  0  0999 V2000
   16.9741    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    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  3  1  0  0  0  0
  4  5  1  6  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  1  0  0  0  0
 11 10  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
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 17 12  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 10  1  0  0  0  0
 20 19  1  0  0  0  0
 21 14  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 26  1  0  0  0  0
  8 28  1  6  0  0  0
 29  4  1  0  0  0  0
 30 29  1  0  0  0  0
 30  1  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015836-3D
FYIcenter.com

 62 65  0  0  1  0  0  0  0  0999 V2000
   -1.8410   -2.0817   -1.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0211   -0.9957   -0.6423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5787    0.3009   -0.6663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9394    1.3787   -0.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2784    1.1857    0.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8605   -0.0865    0.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2395   -1.2133   -0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9506   -2.5249    0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7491   -2.8776    1.1399 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5146   -4.0525    1.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4828   -4.9481    0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2722   -6.0327    0.1089 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2072   -6.8938   -0.9211 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1938   -7.8753   -0.8866 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3006   -6.7779   -1.9731 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1468   -7.8104   -3.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3416   -7.2610   -4.4914 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7736   -6.7874   -4.7427 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9860   -8.3244   -5.5347 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0399   -9.5265   -5.3160 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6320   -7.7831   -6.7528 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461   -8.5922   -7.9350 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6041   -8.8071   -8.7813 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9953   -7.5333   -9.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9069   -7.0340  -10.2980 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7680   -6.6983   -9.5016 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2967   -6.1071  -10.4149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2468   -7.9438   -8.7823 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035   -5.6269   -1.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6224   -4.6714   -0.9710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9196   -3.4522   -1.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8546   -1.7351   -1.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9445   -2.9441   -0.6298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4062   -2.3781   -2.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5344    0.4766   -1.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3966    2.3643   -0.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7837    2.0153    1.0521 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8337   -0.1794    1.0488 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8159   -2.2269    2.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1571   -4.2635    2.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6912   -7.7356   -0.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8079   -8.8073   -0.9591 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1348   -8.2254   -2.9798 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8205   -8.6620   -2.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6603   -6.4155   -4.6484 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4649   -7.6346   -4.8020 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1212   -6.1148   -3.9531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8392   -6.2423   -5.6899 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7521   -6.7854   -6.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9885   -9.5712   -7.5888 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3891   -9.5855   -9.5255 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4395   -9.1600   -8.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8235   -7.7417  -10.2044 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3338   -6.7548   -8.8261 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0596   -5.9257   -8.7797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5725   -6.8106  -11.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0842   -5.2071  -10.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1963   -5.8387   -9.8523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0838   -8.6764   -9.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6218   -7.6936   -8.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7821   -5.4706   -2.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3824   -3.2269   -1.9268 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  2  0  0  0  0
  5 37  1  0  0  0  0
  6  7  1  0  0  0  0
  6 38  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  2  0  0  0  0
  9 10  2  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  2  0  0  0  0
 16 17  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 45  1  6  0  0  0
 18 46  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 49  1  0  0  0  0
 22 23  1  0  0  0  0
 22 28  1  0  0  0  0
 22 50  1  1  0  0  0
 23 24  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 24 25  1  0  0  0  0
 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 55  1  0  0  0  0
 27 56  1  0  0  0  0
 27 57  1  0  0  0  0
 27 58  1  0  0  0  0
 28 59  1  0  0  0  0
 28 60  1  0  0  0  0
 29 30  1  0  0  0  0
 29 61  1  0  0  0  0
 30 31  1  0  0  0  0
 31 62  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-10-24, 901👍, 0💬