Molecule FYI-1001282

Home > Molecule

A

Molecule Summary:

ID: FYI-1001282
SMILES: OC1CN(Cc2cc3c(cc2)C[C@@](CN)(c2cc(-c4ncnc5[nH]ccc45)ccc2)C3)C1

Received at FYIcenter.com on: 2022-04-28

Molecule ID: FYI-1001282 Edit

Molecule Structure SMILES String: OC1CN(Cc2cc3c(cc2)C[C@@](CN)(c2cc(-c4ncnc5[nH]ccc45)ccc2)C3)C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001282
FYIcenter.com

 32 37  0  0  1  0  0  0  0  0999 V2000
   15.9506    4.3506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7382    5.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3759    6.4030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0236    6.0406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8111    6.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5987    6.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5987    4.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3863    3.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1738    4.6406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1738    6.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3863    6.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1334    3.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7028    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0028    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7028    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3048    2.4982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6692    3.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2710    3.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6355    5.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3980    6.2404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7624    7.4878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    7.5610    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6018    6.3869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2191    6.1679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2474    4.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2374    5.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5086    2.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1442    1.3973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5422    1.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0952    2.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3859    4.6883    0.0000 C   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  1  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  2  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  1  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  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  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
 27 19  1  0  0  0  0
 27 23  2  0  0  0  0
 28 18  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 16  1  0  0  0  0
 31 13  1  0  0  0  0
 31  8  1  0  0  0  0
 32  4  1  0  0  0  0
 32  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001282-3D
FYIcenter.com

 59 64  0  0  1  0  0  0  0  0999 V2000
    1.4088    3.2360   -1.7634 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8748    2.5345   -0.5860 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.9455    1.4474   -0.0119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8010    0.3913   -0.5962 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2383   -0.0590   -1.8803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0208   -1.2086   -2.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7380   -2.5265   -2.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4270   -3.5604   -2.7079 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4188   -3.3168   -3.6578 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7461   -2.0245   -4.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0323   -0.9711   -3.4411 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0158   -4.6070   -4.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9053   -5.6502   -3.7713 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7978   -5.7130   -4.8855 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2492   -6.1358   -6.2178 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4331   -7.0675   -3.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7728   -7.9225   -2.5979 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1975   -9.2405   -2.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4861  -10.0615   -1.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1508   -9.8313   -1.1741 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4812  -10.5538   -0.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9634  -11.5073    0.5537 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2791  -11.6882    0.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0349  -12.5861    1.0718 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3410  -12.5069    0.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4194  -11.5378   -0.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062  -11.0235   -0.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2944   -9.7112   -3.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9675   -8.8891   -3.9774 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5428   -7.5785   -4.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2659   -5.0292   -2.4783 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8773    1.3864   -0.8158 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6619    3.7747   -1.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2140    3.2614    0.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0935    1.4842   -0.3583 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9281    1.4294    1.0848 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1391    0.7450   -2.6214 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2148   -0.4224   -1.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9813   -2.7359   -1.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5261   -1.8251   -4.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2658    0.0489   -3.7385 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9464   -4.7900   -3.5878 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2410   -4.5704   -5.2078 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3163   -4.7345   -5.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0079   -6.4066   -4.5705 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9091   -5.4590   -6.5938 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4504   -6.1247   -6.8517 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8900   -7.5649   -2.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5780  -10.3353   -0.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6610  -13.1957    1.7849 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1005  -13.1380    1.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3305  -11.2324   -0.8037 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6289  -10.7403   -2.9703 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8166   -9.2802   -4.5311 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0718   -6.9767   -4.9241 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8182   -5.3033   -1.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2121   -5.3042   -2.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3659    1.3885   -1.7947 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6656    1.3386   -0.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 39  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 13  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 14  1  6  0  0  0
 13 16  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  2  0  0  0  0
 17 18  2  0  0  0  0
 17 48  1  0  0  0  0
 18 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  2  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 49  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 24 50  1  0  0  0  0
 25 26  2  0  0  0  0
 25 51  1  0  0  0  0
 26 27  1  0  0  0  0
 26 52  1  0  0  0  0
 28 29  2  0  0  0  0
 28 53  1  0  0  0  0
 29 30  1  0  0  0  0
 29 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
 32 58  1  0  0  0  0
 32 59  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-01, 809👍, 0💬