Molecule FYI-1006447

A

Molecule Summary:

ID: FYI-1006447
Names:
InChIKey: SPMVMDHWKHCIDT-UHFFFAOYSA-N
SMILES: COc4cc3nccc(Oc2ccc(NC(=O)Nc1cc(C)on1)c(Cl)c2)c3cc4OC

Received at FYIcenter.com on: 2023-12-21

Molecule ID: FYI-1006447 Edit

Molecule Structure InChIKey: SPMVMDHWKHCIDT-UHFFFAOYSA-N

Molecule Structure SMILES String: COc4cc3nccc(Oc2ccc(NC(=O)Nc1cc(C)on1)c(Cl)c2)c3cc4OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1006447
FYIcenter.com

 32 35  0  0  0  0  0  0  0  0999 V2000
   18.1573    5.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    5.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8282    6.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6956    4.9077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.0650    4.6167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    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
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   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
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   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
  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  5  1  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  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
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18 14  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  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
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
 29 27  1  0  0  0  0
 30 29  1  0  0  0  0
 31 26  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006447-3D
FYIcenter.com

 51 54  0     0  0  0  0  0  0999 V2000
    1.0111   -1.1657   -2.2722 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8750    0.7449    1.4367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8120   -2.4355    1.0038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5387   -1.2076   -0.7945 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7625    0.1157    0.7152 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5749    0.5296    1.3361 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5450    2.4609   -1.2320 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2519   -0.3023   -0.4086 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5503   -0.4345   -0.5583 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3812    0.2090    0.8343 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9667    0.6388    0.2352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8374    1.2688   -0.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7691    1.2896    0.5614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3037   -0.6057    0.7941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4999   -1.2301    0.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0269    0.6219   -1.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3623   -0.6153   -0.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4651    2.5180   -0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6006    0.4810    0.9684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3790    3.0558   -0.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9501   -0.0497    0.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4461   -0.1331   -0.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4899    0.8361    1.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8394   -0.4004   -0.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7753    0.5685    1.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4751   -0.0118    0.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3786   -3.6006    0.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9339   -0.3317   -0.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6806   -0.8987    0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9205   -0.7832   -1.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0713   -0.4768   -0.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4993   -0.6561   -0.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6384   -1.0982    1.5003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7146    1.0888   -1.7057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5537    3.0557    0.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1966    4.0148   -1.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3052   -0.4279   -0.8587 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3537    1.3175    2.7073 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5718    0.8748    1.9335 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3211   -0.7541   -1.3171 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3292   -0.8705   -1.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2865   -3.6194    0.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8234   -3.6376   -0.6952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7068   -4.4793    0.8658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5360   -1.4509   -0.3963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5199   -1.2043    1.0409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9025    0.1722   -0.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8331   -1.2588   -2.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9724   -1.2793    0.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6473   -1.1402   -1.7276 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0118    0.3106   -0.7791 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 13  1  0  0  0  0
  2 19  1  0  0  0  0
  3 15  1  0  0  0  0
  3 27  1  0  0  0  0
  4 17  1  0  0  0  0
  4 29  1  0  0  0  0
  5 10  1  0  0  0  0
  5 31  1  0  0  0  0
  6 26  2  0  0  0  0
  7 12  2  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 26  1  0  0  0  0
  8 40  1  0  0  0  0
  9 26  1  0  0  0  0
  9 28  1  0  0  0  0
  9 41  1  0  0  0  0
 10 28  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  2  0  0  0  0
 14 33  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
 16 34  1  0  0  0  0
 18 20  2  0  0  0  0
 18 35  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 36  1  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 24  1  0  0  0  0
 22 37  1  0  0  0  0
 23 25  2  0  0  0  0
 23 38  1  0  0  0  0
 25 39  1  0  0  0  0
 27 42  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
 28 30  1  0  0  0  0
 29 45  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 30 31  2  0  0  0  0
 30 48  1  0  0  0  0
 31 32  1  0  0  0  0
 32 49  1  0  0  0  0
 32 50  1  0  0  0  0
 32 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-31, 2355👍, 0💬