Molecule FYI-1014019

A

Molecule Summary:

ID: FYI-1014019
Names:
InChIKey: YONNPZJSMHVSEF-UHFFFAOYSA-N
SMILES: Cc4cc(C)c3[nH]c(=NC2=NCN(Cc1ccco1)CN2)nc(C)c3c4

Received at FYIcenter.com on: 2025-02-17

Molecule ID: FYI-1014019 Edit

Molecule Structure InChIKey: YONNPZJSMHVSEF-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4cc(C)c3[nH]c(=NC2=NCN(Cc1ccco1)CN2)nc(C)c3c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014019
FYIcenter.com

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.1949    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1949    4.2543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4073    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4073    2.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1949    1.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6197    1.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8321    2.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8321    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6197    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6197    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8321    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4073    6.3544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0447    1.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9824    6.3544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7700    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5576    6.3544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3450    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3450    4.2543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5576    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7700    4.2543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    2.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2652    1.3314    0.0000 O   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  4  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  3  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 12  1  1  0  0  0  0
 13  7  1  0  0  0  0
 14  1  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  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
 20 15  2  0  0  0  0
 21 18  1  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
 26 25  1  0  0  0  0
 26 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014019-3D
FYIcenter.com

 48 51  0     1  0  0  0  0  0999 V2000
    6.7445   -0.1063   -0.5197 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2908   -0.3036   -0.3389 N   0  0  2  0  0  0  0  0  0  0  0  0
    2.0119    1.8153   -0.5386 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7841   -0.2248   -0.5854 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2605    1.8384   -0.2126 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7619    0.0565   -0.1763 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5039    2.3225    0.1722 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2748    1.1208   -0.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4940   -0.9755   -0.8158 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0657   -0.9140   -0.8876 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8506    1.0719   -0.4589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0866    0.4963    0.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0236   -0.3865   -0.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6765   -0.7053    0.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3161   -1.7446   -0.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7553    1.8452    0.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5706    1.3867   -0.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4018    0.0218    0.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6655   -1.3404    0.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6213   -2.2243    0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9280   -0.9407    1.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2254   -2.7349   -0.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7934    2.8881    0.5731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0580   -1.8497    0.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2345   -0.4552    1.6459 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6884    0.0425    0.4467 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5629    1.2432   -1.7572 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0266    1.6518   -0.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7213   -0.7246   -1.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3435   -2.0635   -0.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9761   -1.9273   -0.4791 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1364   -1.0155   -1.9789 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036    2.8278   -0.4749 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.0653   -2.8754    0.7964 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7775   -0.4665    2.5798 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6098    0.5100    0.1318 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 26  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  3 33  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  2  0  0  0  0
  5 11  1  0  0  0  0
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  5 34  1  0  0  0  0
  6 13  1  0  0  0  0
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  7 16  2  0  0  0  0
  7 17  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
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  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 31  1  0  0  0  0
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 14 21  2  0  0  0  0
 15 20  1  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 36  1  0  0  0  0
 21 25  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
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 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  2  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
M  END
$$$$

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2025-03-12, 1448👍, 0💬