Molecule FYI-1004484

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A

Molecule Summary:

ID: FYI-1004484
Names:
InChIKey: GDBVMZAJGWVSRD-UHFFFAOYSA-N
SMILES: Cn4c3CCC(NCc2ccc1OCOc1c2)Cc3ccc4=O

Received at FYIcenter.com on: 2023-09-08

Molecule ID: FYI-1004484 Edit

Molecule Structure InChIKey: GDBVMZAJGWVSRD-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn4c3CCC(NCc2ccc1OCOc1c2)Cc3ccc4=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004484
FYIcenter.com

 23 26  0  0  0  0  0  0  0  0999 V2000
   11.9523    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7399    6.4157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7399    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9523    8.5157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5275    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3151    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3151    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5275    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5275    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3151    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1026    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8902    3.6157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    0.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1026    5.7157    0.0000 C   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  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  2  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
 12 11  1  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  1  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
 22 14  1  0  0  0  0
 23 11  1  0  0  0  0
 23  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004484-3D
FYIcenter.com

 43 46  0     1  0  0  0  0  0999 V2000
    7.1078    0.6127    0.3488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1035   -1.2236    0.8409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7651    0.5901   -0.6013 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5561   -0.4790   -0.3787 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1305   -0.5898   -0.0270 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8462   -0.6242    0.0056 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5346   -1.6603   -0.8794 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5630    0.7270   -0.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9969   -1.8486   -0.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7332   -0.5584   -0.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0639    0.6057   -0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3337    0.0915    0.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7894    1.8272    0.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8836    0.5685    0.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1184    1.8361    0.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7834    0.2555    0.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8460   -1.8586   -0.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7322   -0.6437    0.8318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1694    1.3135   -0.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0478   -0.4526    0.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4256    0.5830   -0.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5087    1.4846   -0.8612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1883   -0.5568    0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9168   -0.9881    1.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0204   -2.6279   -0.8230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2107    1.3930    0.6861 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3144    1.2102   -1.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4938   -2.4002   -1.2664 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.9401   -1.3965   -0.6069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9564    1.0794    1.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2603   -0.5397    1.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2334    2.7545    0.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6662    2.7508    0.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7614   -2.2172   -1.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4277   -2.5913    0.5418 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9089   -1.7441    0.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4523   -1.4669    1.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4266    2.0107   -0.8829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8104    2.2990   -1.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9203   -0.2296    0.9109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6713   -1.2711   -0.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 20  1  0  0  0  0
  2 23  1  0  0  0  0
  3 21  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 31  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 11  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 11 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 15  2  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 15 35  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 20  1  0  0  0  0
 18 39  1  0  0  0  0
 19 22  2  0  0  0  0
 19 40  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END
$$$$

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2023-09-10, 2953👍, 0💬