Molecule FYI-1003711

A

Molecule Summary:

ID: FYI-1003711
Names:
InChIKey: LGMIOFBBNYCMNF-FWCABEFESA-N
SMILES: C[C@H]5CCC([C@H](C)[C@H]3CC[C@H]4[C@@H]2CCC1=CC(=O)CC[C@]1(C)[C@H]2CC[C@]34C)=NC5

Received at FYIcenter.com on: 2023-07-21

Molecule ID: FYI-1003711 Edit

Molecule Structure InChIKey: LGMIOFBBNYCMNF-FWCABEFESA-N

Molecule Structure SMILES String: C[C@H]5CCC([C@H](C)[C@H]3CC[C@H]4[C@@H]2CCC1=CC(=O)CC[C@]1(C)[C@H]2CC[C@]34C)=NC5

Download SDF Download SVG Structure in 2D SDF:

FYI-1003711
FYIcenter.com

 29 33  0  0  1  0  0  0  0  0999 V2000
    9.8126    7.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6002    7.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6002    9.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3878   10.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1754    9.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1754    7.9813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3878    7.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9629   10.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9629   11.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7505    9.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4716    9.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5347    8.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347    7.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6042    7.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5409    6.9485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    5.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    5.3260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    6.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4327    6.0753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    3.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5043    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4410    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0084    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2431    2.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    3.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6757    4.2855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9356    8.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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  2  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  8  9  1  1  0  0  0
 10  8  1  0  0  0  0
 10 11  1  6  0  0  0
 12 11  1  0  0  0  0
 13 12  1  6  0  0  0
 14 13  1  0  0  0  0
 14 10  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  6  0  0  0
 18 17  1  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  1  0  0  0
 20 19  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  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 17  1  0  0  0  0
 27 21  1  0  0  0  0
 27 28  1  6  0  0  0
 14 29  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003711-3D
FYIcenter.com

 70 74  0     1  0  0  0  0  0999 V2000
    6.7525    1.8445    1.1461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9897    0.5043    1.1929 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0572   -1.0820   -0.2805 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1203   -1.8653    0.3383 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4783   -1.4594   -0.2435 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7070    0.0612    0.0255 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2286   -1.7654    0.4664 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8583    0.4024    0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3243   -3.3214    0.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1029    0.5728   -0.5021 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5019    0.9208   -0.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8489   -3.2645    0.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6192   -2.2794    0.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1968   -1.2559   -1.8139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6272   -1.5021   -0.0728 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2113   -0.3683   -0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9696   -1.8494   -0.1862 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3395    2.0074    0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1560    0.6189   -2.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7823    2.4744   -0.0587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9396   -0.0298    0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6805   -2.2851    0.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3679    0.0505    0.5279 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7055    1.4900    0.6081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2241    0.6909   -1.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3012    2.1962   -1.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0488    2.5277    0.1728 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2777    1.9298    1.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2114    4.0362    0.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1605   -1.6365    1.4167 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4845   -1.6514   -1.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7317    0.1701    1.1223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1932   -1.4448    1.5195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9146    0.5590    1.1397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6296    1.0283   -0.3954 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1571   -3.9509    0.9921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0906   -3.7441   -0.7466 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4789    0.9713   -1.5395 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6149    1.9512   -0.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3482   -3.8101   -0.3613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1295   -3.7452    1.3913 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4753   -3.3455    0.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6184   -2.1684    1.4643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2616   -1.0451   -2.3399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4818   -2.2755   -2.0924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9263   -0.5850   -2.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7018   -1.8066   -1.1229 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0199   -2.0948   -1.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7544   -2.4408    0.3012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0548    2.0400    1.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6994    2.7334   -0.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667    0.8423   -2.4074 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8611   -0.3320   -2.5003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4959    1.3939   -2.4493 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8858    3.4429    0.4430 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0913    2.5967   -1.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6896   -1.9826    0.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6021   -2.1218    1.7789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5947   -3.3608    0.5145 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1239   -0.6462    0.8745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5094    0.4493   -2.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1964    0.3182   -1.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2904    2.6218   -1.0834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8060    2.6349   -1.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0490    2.0761    0.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3293    2.4593    1.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8625    2.0615    2.2654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7507    4.2681    1.2639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2403    4.5414    0.3781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7795    4.4593   -0.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  2  0  0  0  0
  2 21  2  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 31  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 32  1  0  0  0  0
  7 12  1  0  0  0  0
  7 15  1  0  0  0  0
  7 33  1  0  0  0  0
  8 11  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 12  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 16  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 17  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 47  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  2  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 18 20  1  0  0  0  0
 18 50  1  0  0  0  0
 18 51  1  0  0  0  0
 19 52  1  0  0  0  0
 19 53  1  0  0  0  0
 19 54  1  0  0  0  0
 20 24  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
 21 25  1  0  0  0  0
 22 57  1  0  0  0  0
 22 58  1  0  0  0  0
 22 59  1  0  0  0  0
 23 24  1  0  0  0  0
 23 60  1  0  0  0  0
 25 26  1  0  0  0  0
 25 61  1  0  0  0  0
 25 62  1  0  0  0  0
 26 27  1  0  0  0  0
 26 63  1  0  0  0  0
 26 64  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 65  1  0  0  0  0
 28 66  1  0  0  0  0
 28 67  1  0  0  0  0
 29 68  1  0  0  0  0
 29 69  1  0  0  0  0
 29 70  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 1672👍, 0💬