Molecule FYI-1005807

A

Molecule Summary:

ID: FYI-1005807
Names:
InChIKey: LTRXFSJCEMFCIJ-UHFFFAOYSA-N
SMILES: Fc4ccc(Nc2ccnc(Nc1ccccc1)n2)c(CN3CCOCC3)c4

Received at FYIcenter.com on: 2023-11-16

Molecule ID: FYI-1005807 Edit

Molecule Structure InChIKey: LTRXFSJCEMFCIJ-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc4ccc(Nc2ccnc(Nc1ccccc1)n2)c(CN3CCOCC3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005807
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    8.4871    7.0000    0.0000 F   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
    6.0622    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
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
    4.8498    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 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 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    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
    6.0622    4.2000    0.0000 C   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
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  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 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
 26 18  2  0  0  0  0
 26 14  1  0  0  0  0
 27 12  1  0  0  0  0
 28 27  2  0  0  0  0
 28  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005807-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    2.5748   -0.6519   -0.3651 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2970   -0.2977   -0.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9675    1.0449   -0.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3568    1.4041    0.0933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3606    0.4334    0.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6865    0.8685    0.5943 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9591    2.0982    1.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2775    2.4271    2.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4973    3.6829    2.9000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3594    4.5393    2.3391 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0335    4.1321    1.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0054    4.9473    0.6659 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6991    6.0453    1.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1779    6.8660    2.2104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9416    7.8815    2.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2380    8.1149    2.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7550    7.3553    1.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9869    6.3369    0.7278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8504    2.9275    0.6821 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0348   -0.9336    0.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0636   -2.0523    0.1095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0640   -2.9813    1.2579 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9272   -4.1611    0.9825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4337   -3.8409    0.9319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8809   -3.1786    2.1206 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0887   -2.0237    2.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5888   -2.3603    2.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3195   -1.2780   -0.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7290    1.8036   -0.2763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6003    2.4653    0.0989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2415    0.8987   -0.2605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5648    1.7589    2.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9680    4.0593    3.7692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4955    4.4094   -0.0333 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.4210    5.7505   -0.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8070   -2.6380   -0.7865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0557   -1.6454   -0.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6147   -4.6636    0.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0012   -4.7749    0.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6909   -3.2362    0.0551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4197   -1.6607    3.4076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3005   -1.2329    1.7032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4409   -3.0841    3.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0021   -1.4791    2.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6140   -2.3211   -0.1168 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 20  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 19  2  0  0  0  0
  8  9  2  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 19  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 18  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 36  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 28  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 25  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-23, 805👍, 0💬