Molecule FYI-1009279

A

Molecule Summary:

ID: FYI-1009279
Names:
InChIKey: PPDZWZHBFPWDTL-HNNXBMFYSA-N
SMILES: Cc4ccc(Nc2cc(N1CCC[C@H](N)C1)nc3ccnn23)c(C)c4

Received at FYIcenter.com on: 2024-05-04

Molecule ID: FYI-1009279 Edit

Molecule Structure InChIKey: PPDZWZHBFPWDTL-HNNXBMFYSA-N

Molecule Structure SMILES String: Cc4ccc(Nc2cc(N1CCC[C@H](N)C1)nc3ccnn23)c(C)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1009279
FYIcenter.com

 25 28  0  0  1  0  0  0  0  0999 V2000
    4.8498    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    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
    7.2747    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 N   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
    9.5275    7.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9581    8.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5658    8.3694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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
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  7  2  1  0  0  0  0
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  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
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 14 13  1  0  0  0  0
 14 10  1  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  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 23 17  1  0  0  0  0
 24 23  1  0  0  0  0
 25 15  2  0  0  0  0
 25  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009279-3D
FYIcenter.com

 49 52  0  0  1  0  0  0  0  0999 V2000
    2.4696    1.1800    0.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2027    0.3826    0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2404   -1.0070    0.1743 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0565   -1.7399    0.1156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2041   -1.1148    0.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4128   -1.8723    0.0339 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4408   -3.2648    0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9154   -3.9591    1.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8355   -5.4549    1.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1113   -6.1553    2.0060 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0301   -5.5943    2.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2397   -6.5265    2.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8829   -7.9630    3.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3310   -8.4851    2.2496 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0236   -8.6505    0.8281 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5108   -7.5042    2.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4108   -6.1113    0.0669 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0244   -5.3822   -0.9151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6620   -5.7588   -2.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0487   -4.5551   -2.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6840   -3.4779   -1.9998 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0444   -3.9872   -0.9058 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2472    0.2921    0.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5298    1.0769   -0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0405    1.0218    0.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3501    0.5301    0.2856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4727    1.8148    1.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5652    1.8044   -0.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1890   -1.5393    0.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1536   -2.8204    0.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9783   -1.5712   -0.7690 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.3418   -4.6291    2.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5810   -4.4242   -3.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5924    1.7580    0.8520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0772    2.1105    0.1026 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  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 23  2  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  2  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 16  1  0  0  0  0
 14 15  1  0  0  0  0
 14 39  1  1  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 22  1  0  0  0  0
 19 20  1  0  0  0  0
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 20 21  2  0  0  0  0
 20 45  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
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 24 46  1  0  0  0  0
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 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END
$$$$

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2024-05-16, 1128👍, 0💬