Molecule FYI-1010213

A

Molecule Summary:

ID: FYI-1010213
Names:
InChIKey: FHUQICCGRQAASB-UHFFFAOYSA-N
SMILES: CC2c1cccn1CCN2c5ccc(C(=O)Nc4nc3ccccc3s4)cc5

Received at FYIcenter.com on: 2024-06-03

Molecule ID: FYI-1010213 Edit

Molecule Structure InChIKey: FHUQICCGRQAASB-UHFFFAOYSA-N

Molecule Structure SMILES String: CC2c1cccn1CCN2c5ccc(C(=O)Nc4nc3ccccc3s4)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1010213
FYIcenter.com

 28 32  0  0  0  0  0  0  0  0999 V2000
   16.5715    0.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5715    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3637    2.7890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1560    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1560    0.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3637    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8299    2.5228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0101    1.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8299    0.2664    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.6156    1.3946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9157    2.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6156    3.8193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5157    2.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8157    3.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4157    1.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8157    1.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    2.6070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157    3.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2157    1.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157    1.3945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    4.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    2.8980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    5.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  2  0  0  0  0
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  5  9  1  0  0  0  0
  4  7  1  0  0  0  0
  8 10  1  0  0  0  0
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 11 13  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 16 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 19 24  1  0  0  0  0
 19 20  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 22 27  1  0  0  0  0
 21 25  2  0  0  0  0
 20 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010213-3D
FYIcenter.com

 48 52  0  0  1  0  0  0  0  0999 V2000
    0.7043   -2.1470    0.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5027   -1.3301   -0.2393 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1542    0.1382   -0.1015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0227    0.8273   -0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2023    2.1811   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4988    2.2930    0.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0650    1.0506    0.3673 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4461    0.7295    0.6785 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6157   -0.7621    0.9628 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9427   -1.6056   -0.0395 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6561   -2.1929   -1.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9427   -4.0089   -4.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4428   -3.1910   -5.0211 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7996   -5.9453   -5.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3963   -5.3407   -6.3805 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5332   -6.2276   -7.4238 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8793   -5.8913   -8.7424 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4780   -6.7695   -9.7469 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2122   -8.1003   -9.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2283   -8.5477   -8.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5864   -2.2804   -2.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8593   -1.6557   -1.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1770   -1.6341   -1.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4941   -1.8035   -2.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2460   -0.7193   -1.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  2  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
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  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  2  0  0  0  0
 12 13  2  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
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 14 27  2  0  0  0  0
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 18 19  2  0  0  0  0
 18 26  1  0  0  0  0
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 20 25  2  0  0  0  0
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 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END
$$$$

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2024-07-11, 283👍, 0💬