Molecule FYI-1003101

A

Molecule Summary:

ID: FYI-1003101
Names:
InChIKey: MTBZCEGVUKTPLQ-UHFFFAOYSA-N
SMILES: NC(=O)c3ccc(c2cc(c1cc(F)c(O)c(F)c1)cnc2N)c(F)c3

Received at FYIcenter.com on: 2023-05-10

Molecule ID: FYI-1003101 Edit

Molecule Structure InChIKey: MTBZCEGVUKTPLQ-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(=O)c3ccc(c2cc(c1cc(F)c(O)c(F)c1)cnc2N)c(F)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003101
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    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
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    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
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    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
    7.2746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  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
  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
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 13  7  1  0  0  0  0
 14  6  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16  4  1  0  0  0  0
 17  3  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19  1  1  0  0  0  0
 14 20  1  0  0  0  0
 18 21  1  0  0  0  0
  1 22  1  0  0  0  0
 19 23  1  0  0  0  0
 11 24  2  0  0  0  0
 11 25  1  0  0  0  0
  8 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003101-3D
FYIcenter.com

 38 40  0  0  0  0  0  0  0  0999 V2000
    1.6135    0.8749    0.1891 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3662   -0.2122   -0.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4194   -0.6103   -1.3080 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1485   -0.8647    0.9273 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7354   -0.8515    2.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5030   -1.4972    3.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7215   -2.1328    2.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5904   -2.7455    3.9791 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3174   -3.9267    3.6979 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2362   -4.4874    4.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0001   -5.7221    4.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3808   -6.0691    2.9912 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0799   -7.2505    2.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4132   -7.5636    1.4744 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4383   -8.1094    3.7643 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1225   -9.2628    3.5087 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0848   -7.7815    5.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4132   -8.5848    6.0826 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.3744   -6.6103    5.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3703   -3.8007    5.8006 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6569   -2.7099    6.1576 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7858   -2.2069    5.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0787   -1.1122    5.7540 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0954   -2.1330    1.5737 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2453   -2.7061    1.1844 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3220   -1.5323    0.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1750    1.3691   -0.5787 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7435    1.3786    1.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8064   -0.3702    2.5538 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1256   -1.4946    4.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1486   -4.4249    2.7443 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1424   -5.4298    2.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2612   -9.3135    2.5451 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1047   -6.4231    6.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0868   -4.1117    6.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4461   -0.9289    6.6853 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1632   -0.3067    5.1463 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6537   -1.5773   -0.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  2  0  0  0  0
  5  6  2  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  2  0  0  0  0
  8  9  1  0  0  0  0
  8 22  2  0  0  0  0
  9 10  2  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  2  0  0  0  0
 12 13  2  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  2  0  0  0  0
 20 35  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 3278👍, 0💬