Molecule FYI-1016438

A

Molecule Summary:

ID: FYI-1016438
Names:
InChIKey: WOSKHXYHFSIKNG-UHFFFAOYSA-N
SMILES: COc4cc3nccc(Oc2ccc(NC(=O)NC1CC1)c(Cl)c2)c3cc4C(N)=O

Received at FYIcenter.com on: 2026-01-07

Molecule ID: FYI-1016438 Edit

Molecule Structure InChIKey: WOSKHXYHFSIKNG-UHFFFAOYSA-N

Molecule Structure SMILES String: COc4cc3nccc(Oc2ccc(NC(=O)NC1CC1)c(Cl)c2)c3cc4C(N)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016438
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    0.7000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3372    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3372    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1248    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   11.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3372    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3372    8.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.5498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3372    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.1000    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  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  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  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  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 19  1  0  0  0  0
 22 14  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  2  0  0  0  0
 24 11  1  0  0  0  0
 25  9  1  0  0  0  0
 25  5  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27  3  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016438-3D
FYIcenter.com

 49 52  0     0  0  0  0  0  0999 V2000
   -2.0471    0.9213   -2.4341 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.7296    0.0770    1.3676 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7053   -0.6121    1.5420 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4907    0.5341   -0.9293 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6138    3.2397   -0.0123 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6258    0.8009   -0.6345 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3370    0.5259   -0.4745 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2238   -2.9144   -0.8142 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6047    2.3750    1.8664 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9936    0.7972   -0.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8057   -0.4569   -0.2419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1070    0.6663   -1.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5670    0.4311    0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0559    0.2462    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9258    0.3900   -0.7947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9219   -0.1866    1.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7926   -0.8500    0.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5479   -0.3271    1.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5509   -1.3506    0.7662 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6085   -1.6770   -0.4482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6618    0.1012   -0.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6580   -0.4756    1.8438 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2258    0.4363    0.7153 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4642    0.9087    0.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2730    0.0996   -0.4981 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8419   -1.1793   -0.8593 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1518   -2.6251    0.3906 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0179   -3.3599   -0.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8907    2.2454    0.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5285    1.2186   -2.1796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1667    1.4730    0.6299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3560   -1.3534   -0.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5019   -0.6342    0.5685 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0071    1.2437   -1.0183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8602    0.5216   -2.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4253    1.0937   -1.5862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3794    0.8371   -1.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7385   -0.3260    2.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2141    0.2351   -0.9095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5537   -0.8127    2.8709 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5989    1.0774    1.3323 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4893   -1.8004   -1.4768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2035   -3.0495    0.7017 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7609   -4.3637   -0.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5512    1.5666   -2.3481 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2532    0.5386   -2.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8611    2.0853   -2.1770 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    3.2836    2.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8334    1.5753    2.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  2 13  2  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 25  1  0  0  0  0
  4 30  1  0  0  0  0
  5 29  2  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  6 36  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 37  1  0  0  0  0
  8 20  2  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 48  1  0  0  0  0
  9 49  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 22  2  0  0  0  0
 16 38  1  0  0  0  0
 17 19  2  0  0  0  0
 17 20  1  0  0  0  0
 17 23  1  0  0  0  0
 18 21  2  0  0  0  0
 18 22  1  0  0  0  0
 19 27  1  0  0  0  0
 20 26  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  2  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  1  0  0  0  0
 25 26  2  0  0  0  0
 26 42  1  0  0  0  0
 27 28  2  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
 30 45  1  0  0  0  0
 30 46  1  0  0  0  0
 30 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-02-02, 539👍, 0💬