Molecule FYI-1007760

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A

Molecule Summary:

ID: FYI-1007760
Names:
InChIKey: OMFMMDPKHIGHHS-UHFFFAOYSA-N
SMILES: O=C(Cc2cccc(N1CCOCC1)c2)Nc3ncccn3

Received at FYIcenter.com on: 2024-03-14

Molecule ID: FYI-1007760 Edit

Molecule Structure InChIKey: OMFMMDPKHIGHHS-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Cc2cccc(N1CCOCC1)c2)Nc3ncccn3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007760
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.8302    0.6972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8302    2.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0377    2.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    2.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2452    0.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4527    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6604    0.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6604    2.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4527    2.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6225    2.7887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4150    2.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    2.7887    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2075    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4150    0.6972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8729    2.7915    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0853    2.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2978    2.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2978    4.1913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0854    4.8914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8730    4.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  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
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  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
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
  8 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 22  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007760-3D
FYIcenter.com

 40 42  0  0  0  0  0  0  0  0999 V2000
    5.2055    0.7903    0.3435 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3116    1.3161    1.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8880    1.2702    0.4782 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9905    2.4195    0.8666 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7313    2.1699    1.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0948    3.2304    1.7734 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3345    4.5428    1.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5876    4.8336    1.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0019    6.1507    0.9201 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4301    6.5023    0.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5795    7.9438    1.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7851    8.8742    0.6555 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3946    8.5017    0.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1760    7.0873    0.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3937    3.7500    0.6468 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4690    1.8784    2.2511 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6938    2.1528    2.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8266    2.0735    2.1408 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9743    2.3704    2.7719 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0313    2.7421    4.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8173    2.8092    4.7297 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6344    2.5408    4.1314 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4548    0.3144    0.7959 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9433    1.2536   -0.6181 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3849    1.1518    1.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0668    3.0424    2.2213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3073    5.3547    1.9067 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8103    6.4335   -0.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0200    5.8373    1.5359 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6240    8.2614    1.3440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2817    8.0062    2.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8361    9.2318    0.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0395    8.5669    1.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4975    7.0526   -0.9124 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1087    6.8453    0.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3584    3.9333    0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6719    2.1212    2.8217 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8679    2.2949    2.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9653    2.9653    4.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7554    3.0872    5.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  2  0  0  0  0
  5  6  2  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  2  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  2  0  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
M  END
$$$$

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2024-03-23, 153👍, 0💬