Molecule FYI-1006565

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A

Molecule Summary:

ID: FYI-1006565
Names:
InChIKey: LYDLXFPXJUEIIO-HMMYKYKNSA-N
SMILES: CCN(CC)CCCCCN=c2cnc1=CC=CC(Cl)c1c2

Received at FYIcenter.com on: 2024-01-03

Molecule ID: FYI-1006565 Edit

Molecule Structure InChIKey: LYDLXFPXJUEIIO-HMMYKYKNSA-N

Molecule Structure SMILES String: CCN(CC)CCCCCN=c2cnc1=CC=CC(Cl)c1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006565
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   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
  6  1  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  2  0  0  0  0
 10  5  1  0  0  0  0
 11  8  2  0  0  0  0
 12  1  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006565-3D
FYIcenter.com

 48 49  0  0  1  0  0  0  0  0999 V2000
    4.7326    1.7258   -3.3998 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3306    0.3900   -2.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7414    0.2031   -1.3816 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2979    1.2780   -0.4761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7921    1.3944   -0.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3546   -1.1253   -0.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9245   -2.3228   -1.6455 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4498   -2.3449   -1.6783 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9674   -3.5146   -2.5200 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872   -3.5229   -2.4948 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0045   -4.6331   -3.2991 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2897   -4.7298   -3.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8680   -5.8365   -4.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1374   -6.0419   -4.3477 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0453   -5.2147   -3.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3594   -5.4483   -3.8898 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3822   -4.6473   -3.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0576   -3.6048   -2.4943 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6271   -3.2112   -2.2378 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.4277   -1.5167   -2.7978 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.5883   -4.1032   -2.8987 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2848   -3.8704   -2.6891 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6096    1.6782   -4.4874 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7825    1.9602   -3.1957 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1079    2.5457   -3.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8227   -0.3687   -3.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2509    0.2441   -2.9028 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6804    2.2417   -0.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7831    1.1404    0.4995 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2262    1.3534   -1.1839 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5608    2.3506    0.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4298    0.5988    0.4099 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2627   -1.2270   -0.8547 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6953   -1.2174    0.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5270   -2.3420   -2.6664 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5665   -3.2443   -1.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8341   -2.4260   -0.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8396   -1.4068   -2.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6120   -3.4207   -3.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5807   -4.4636   -2.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8180   -3.6252   -1.4538 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8491   -2.5674   -2.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1288   -6.4909   -4.6775 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6870   -6.2794   -4.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4208   -4.9134   -3.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8333   -3.0109   -2.0247 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4589   -3.2079   -1.1540 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9519   -3.0558   -2.0624 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 11  1  0  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 12  2  3  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 13 14  2  0  0  0  0
 13 43  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 16 44  1  0  0  0  0
 17 18  2  0  0  0  0
 17 45  1  0  0  0  0
 18 19  1  0  0  0  0
 18 46  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 47  1  0  0  0  0
 21 22  2  0  0  0  0
 22 48  1  0  0  0  0
M  END
$$$$

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2024-01-15, 1427👍, 0💬