Molecule FYI-1003731

A

Molecule Summary:

ID: FYI-1003731
Names:
InChIKey: WRYFMDZSFJQZCD-UHFFFAOYSA-N
SMILES: COc5c(NC(=O)Nc3ccc2[nH]c(c1ccc(C)cc1)nc2c3)ccc4OC(C)(C)C=Cc45

Received at FYIcenter.com on: 2023-07-24

Molecule ID: FYI-1003731 Edit

Molecule Structure InChIKey: WRYFMDZSFJQZCD-UHFFFAOYSA-N

Molecule Structure SMILES String: COc5c(NC(=O)Nc3ccc2[nH]c(c1ccc(C)cc1)nc2c3)ccc4OC(C)(C)C=Cc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1003731
FYIcenter.com

 34 38  0  0  0  0  0  0  0  0999 V2000
    8.6746    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5243    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5243    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8558    0.7798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.6788    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0788    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7788    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1788    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8788    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2788    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1788    3.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7788    3.1248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8558    3.0450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621    3.3124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3999    2.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3999    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    1.2124    0.0000 C   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  2  0  0  0  0
  8  7  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  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 16 10  1  0  0  0  0
 17  9  2  0  0  0  0
 17  6  1  0  0  0  0
 18  7  1  0  0  0  0
 19 18  2  0  0  0  0
 19  4  1  0  0  0  0
 20  2  1  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  1  0  0  0  0
 25 22  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31 28  1  0  0  0  0
 32 25  2  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 34 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003731-3D
FYIcenter.com

 60 64  0  0  0  0  0  0  0  0999 V2000
    0.8953   -1.9837    1.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2191   -1.6007    1.8866 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5221   -0.2594    1.9599 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8895   -0.0072    1.6451 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7523   -1.0918    1.3298 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9505   -1.4733    1.8429 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6223   -2.3231    1.2285 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4738   -0.9688    3.0058 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8456   -0.2014    4.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5840   -0.5399    4.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8252    0.3979    5.1835 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3801    1.6755    5.3479 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8255    2.9152    5.6330 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7750    3.8866    5.5923 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4305    5.2884    5.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3953    5.5928    6.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1462    6.9166    7.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9248    7.9620    6.7144 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7612    9.3654    7.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8934    7.6703    5.7454 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1362    6.3488    5.3392 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9218    3.3614    5.1866 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6821    2.0033    4.9934 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4612    1.0213    4.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3953    1.2832    1.7479 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6128    2.2916    2.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3312    2.0034    2.8273 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8194    2.9316    3.7281 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6255    2.6391    4.5013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8786    2.3097    6.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1507    3.9614    4.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1659    1.5118    3.9197 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3415    0.6361    3.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7267    0.7570    2.5631 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9288   -2.9961    1.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500   -1.3251    0.8185 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2947   -2.0503    2.4800 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3768   -1.7721    0.6802 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4517   -1.1331    3.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1169   -1.4826    4.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7760    0.1753    5.3484 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8740    3.1223    5.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875    4.8193    7.2621 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3650    7.1150    7.9541 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0116    9.4180    8.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4489   10.0316    6.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079    9.7172    7.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4888    8.4748    5.3213 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9031    6.1499    4.5958 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4259    1.3022    3.9545 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4401    1.4909    1.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0794    3.2491    2.5309 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3062    3.1590    6.5456 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5538    1.4720    6.1501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0438    2.0519    6.5305 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4843    4.7612    4.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0440    3.8947    5.1545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4404    4.2772    3.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1846    1.3866    4.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3096   -0.1360    2.6699 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 34  2  0  0  0  0
  4  5  1  0  0  0  0
  4 25  2  0  0  0  0
  5  6  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  2  0  0  0  0
 10 11  2  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  2  0  0  0  0
 13 14  1  0  0  0  0
 13 42  1  0  0  0  0
 14 15  1  0  0  0  0
 14 22  2  0  0  0  0
 15 16  1  0  0  0  0
 15 21  2  0  0  0  0
 16 17  2  0  0  0  0
 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 21  1  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 50  1  0  0  0  0
 25 26  1  0  0  0  0
 25 51  1  0  0  0  0
 26 27  2  0  0  0  0
 26 52  1  0  0  0  0
 27 28  1  0  0  0  0
 27 34  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
 30 55  1  0  0  0  0
 31 56  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
 32 33  2  0  0  0  0
 32 59  1  0  0  0  0
 33 34  1  0  0  0  0
 33 60  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 2635👍, 0💬