Molecule FYI-1013596

A

Molecule Summary:

ID: FYI-1013596
Names:
InChIKey: QVYGHEFWFJCHDE-UHFFFAOYSA-N
SMILES: N#Cc3ccc(C(C(=O)NCCc1ccc(F)cc1)N2CCCCC2)cc3

Received at FYIcenter.com on: 2025-01-15

Molecule ID: FYI-1013596 Edit

Molecule Structure InChIKey: QVYGHEFWFJCHDE-UHFFFAOYSA-N

Molecule Structure SMILES String: N#Cc3ccc(C(C(=O)NCCc1ccc(F)cc1)N2CCCCC2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013596
FYIcenter.com

 27 29  0  0  0  0  0  0  0  0999 V2000
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    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 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
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 N   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  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  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
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20  7  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 23  1  0  0  0  0
 27 26  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013596-3D
FYIcenter.com

 51 53  0  0  1  0  0  0  0  0999 V2000
   -3.0804    0.0661   -0.6065 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9323    0.0722   -0.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5169    0.0699   -0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2760    1.0956   -0.7399 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6625    1.0683   -0.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2759    0.0111    0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8026   -0.0261    0.2449 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2534    0.7946    1.4918 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9759    1.7865    1.3843 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8281    0.3206    2.7195 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2824    0.9368    3.9539 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6879    0.2700    5.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1047    0.9399    6.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    2.0212    6.9878 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7214    2.6146    8.2007 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8188    2.1341    8.9037 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1463    2.6901   10.0777 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5790    1.0820    8.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2265    0.4875    7.1939 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3636   -1.4227    0.2696 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0777   -2.1113   -1.0148 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5890   -3.5530   -1.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0835   -3.6016   -0.7217 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4085   -2.8091    0.5360 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8288   -1.3945    0.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4623   -0.9919    0.6808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0794   -0.9706    0.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2635    1.8720   -0.9926 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2247    0.4919   -0.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3898   -0.5928    2.7334 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0127    1.9989    3.9141 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3775    0.8817    3.9729 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5920    0.2662    5.1289 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0015   -2.1617   -1.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0035   -3.3309    1.4124 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3233   -0.8232   -0.3220 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0790   -0.9136    1.4259 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9099   -1.8238    1.2223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5241   -1.7787    0.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
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  3  4  1  0  0  0  0
  3 27  2  0  0  0  0
  4  5  2  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  2  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  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 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  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 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
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 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 27  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 1115👍, 0💬