Molecule FYI-1003224

A

Molecule Summary:

ID: FYI-1003224
Names:
InChIKey: FSXVPTTYXPAFKW-UHFFFAOYSA-N
SMILES: Cc1[nH]c(=O)ccc1N4CN(c2ccc(F)c(O)c2C)c3cc(Cl)c(F)cc3C4=O

Received at FYIcenter.com on: 2023-05-25

Molecule ID: FYI-1003224 Edit

Molecule Structure InChIKey: FSXVPTTYXPAFKW-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1[nH]c(=O)ccc1N4CN(c2ccc(F)c(O)c2C)c3cc(Cl)c(F)cc3C4=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003224
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
   12.1243    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 N   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    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    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
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 F   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
    9.6995    1.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6000    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
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    5.6000    0.0000 O   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
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 18 11  1  0  0  0  0
 18  6  1  0  0  0  0
 19  8  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 25 19  2  0  0  0  0
 26 25  1  0  0  0  0
 27  5  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  2  0  0  0  0
 29  2  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003224-3D
FYIcenter.com

 46 49  0  0  0  0  0  0  0  0999 V2000
    0.0667   -3.0674    0.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2312   -1.5938    0.3884 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8560   -0.7659    0.5860 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8039    0.6039    0.5605 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7930    1.3025    0.7298 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5160    1.2024    0.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5783    0.3998    0.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4505   -1.0496    0.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5648   -1.8344   -0.0809 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3773   -1.6132   -1.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5789   -2.8651   -1.9866 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5785   -2.8040   -3.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0095   -3.9050   -4.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0637   -4.0336   -5.4925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6589   -3.0327   -6.2286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7526   -3.1434   -7.5616 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1589   -1.8966   -5.6007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7187   -0.9169   -6.3836 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1198   -1.7424   -4.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6680   -0.4514   -3.6376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9483   -3.9636   -1.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4971   -5.1567   -1.6584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8316   -6.2267   -0.8164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4019   -7.6983   -1.5059 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6832   -6.1061    0.5594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0152   -7.1122    1.3802 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1568   -4.9470    1.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7663   -3.9038    0.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9815   -2.7926    0.8269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6810   -2.8145    2.0155 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1420   -3.2628    0.2725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3701   -3.5076   -0.5862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3256   -3.5963    1.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7720   -1.1667    0.7469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5735    2.2793    0.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5544    0.8424   -0.0810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8437   -0.8899   -1.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3405   -1.1980   -0.9269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5100   -4.6959   -3.5456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6553   -4.9065   -5.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7040   -1.2391   -7.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1502    0.1763   -4.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8596    0.1693   -3.2392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4229   -0.6444   -2.8724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6684   -5.2846   -2.7225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0102   -4.8800    2.1773 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  2  0  0  0  0
 13 14  2  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 28  2  0  0  0  0
 22 23  2  0  0  0  0
 22 45  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 46  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 427👍, 0💬