Molecule FYI-1014846

A

Molecule Summary:

ID: FYI-1014846
Names:
InChIKey: LPMRHUQKAWFYJW-UHFFFAOYSA-N
SMILES: NCCNc3cccc(c2ccnc(Nc1cccc(Cl)c1)n2)c3

Received at FYIcenter.com on: 2025-05-30

Molecule ID: FYI-1014846 Edit

Molecule Structure InChIKey: LPMRHUQKAWFYJW-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCNc3cccc(c2ccnc(Nc1cccc(Cl)c1)n2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014846
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    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  1  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
 10  1  2  0  0  0  0
 11  7  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 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 20 15  2  0  0  0  0
 21 19  1  0  0  0  0
 22 13  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014846-3D
FYIcenter.com

 42 44  0     0  0  0  0  0  0999 V2000
   -1.0992   -3.6203    0.6576 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8020   -1.1599    0.1553 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8194    1.3250   -0.1487 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0673    0.9201   -0.6863 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5956   -4.0151   -2.1842 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1088    2.9470   -1.3789 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2023    0.0391    0.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4440    1.6864    0.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0365    0.5002   -0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2681   -1.9519   -0.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2345    2.1642   -0.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7754    0.7640    1.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0171    2.4113    1.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1307   -3.1916   -1.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1827    1.9501    2.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1948    3.3941   -0.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9430    1.7728   -0.7409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2709   -0.3522   -0.1208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0153    3.7365   -1.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2086   -1.2511   -0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5341   -0.7132    0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4094   -2.5108    0.5388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7351   -1.9730    0.9120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6727   -2.8717    1.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5736   -0.0444   -0.8374 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2428   -2.2649   -0.6742 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2474   -1.3744   -1.8421 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6512   -1.4529    0.6262 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6834    0.4155    2.1233 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5681    3.3353    1.8162 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1591   -2.9031   -1.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1700   -3.7809   -0.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6282    2.5137    2.8858 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0477    4.0591   -0.9001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9117    1.3688   -1.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1426    4.6832   -1.9261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2255   -1.0164   -0.4215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3699   -0.0214    0.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1539   -4.8634   -2.2705 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6511   -4.3176   -1.9492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7186   -2.2538    1.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8440   -3.8498    1.4497 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  2 28  1  0  0  0  0
  3 11  2  0  0  0  0
  3 17  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  4 35  1  0  0  0  0
  5 14  1  0  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  6 17  2  0  0  0  0
  6 19  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  9 25  1  0  0  0  0
 10 14  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 16  1  0  0  0  0
 12 15  1  0  0  0  0
 12 29  1  0  0  0  0
 13 15  2  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 19  2  0  0  0  0
 16 34  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
 19 36  1  0  0  0  0
 20 22  1  0  0  0  0
 20 37  1  0  0  0  0
 21 23  2  0  0  0  0
 21 38  1  0  0  0  0
 22 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
M  END
$$$$

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2025-06-21, 1023👍, 0💬