Molecule FYI-1007841

A

Molecule Summary:

ID: FYI-1007841
Names:
InChIKey: HUURIWRQWPLNRX-UHFFFAOYSA-N
SMILES: Fc4ccc(Nc3nccc(Nc1cc(Cl)ccc1N2CCOCC2)n3)cc4

Received at FYIcenter.com on: 2024-03-18

Molecule ID: FYI-1007841 Edit

Molecule Structure InChIKey: HUURIWRQWPLNRX-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc4ccc(Nc3nccc(Nc1cc(Cl)ccc1N2CCOCC2)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007841
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
   12.1244    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    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
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  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  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 16  1  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  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007841-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
   -5.1766    7.7888    4.7606 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2828    7.1595    3.9876 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6262    5.9608    3.3834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6952    5.3192    2.5664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4236    5.8744    2.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4759    5.2487    1.5013 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7788    4.4451    0.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9360    3.4702    0.0564 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3106    2.7106   -0.9907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4865    2.8856   -1.6896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2865    3.9287   -1.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4298    4.2615   -2.0314 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1716    5.4743   -2.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9967    6.4976   -1.1559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6736    7.7077   -1.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4538    8.9029   -0.0175 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.5195    7.9470   -2.2980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6920    6.9599   -3.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0455    5.7005   -3.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2903    4.7625   -4.2264 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2763    3.8301   -4.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0937    3.9932   -6.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3351    3.9552   -6.9894 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2064    4.9907   -6.5076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5345    4.7684   -5.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9134    4.6949   -0.2632 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0927    7.0730    2.9791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0256    7.7211    3.7945 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.9807    4.3811    2.0969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6777    4.8610    1.9842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6031    1.9369   -1.2748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7292    2.2651   -2.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0160    3.4709   -2.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3505    6.3612   -0.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0424    8.8946   -2.3841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3298    7.2273   -4.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6201    2.8109   -4.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2851    3.9591   -4.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4695    3.1760   -6.6518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5801    4.9342   -6.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1220    4.9541   -7.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7332    5.9663   -6.6739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0032    3.7834   -4.9089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2779    5.4962   -4.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1213    7.5310    2.8118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7856    8.6711    4.2656 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  2  0  0  0  0
  3  4  2  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  2  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  2  0  0  0  0
 14 15  2  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 27 28  1  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 1601👍, 0💬