Molecule FYI-1005587

A

Molecule Summary:

ID: FYI-1005587
Names:
InChIKey: DIVCOYBLPCWVAC-UHFFFAOYSA-N
SMILES: Cc3cc(=O)oc4cc(NC(c1ccccc1)c2ccccc2)c(Cl)cc34

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005587 Edit

Molecule Structure InChIKey: DIVCOYBLPCWVAC-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc(=O)oc4cc(NC(c1ccccc1)c2ccccc2)c(Cl)cc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005587
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
    7.2746    0.7000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
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  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16  9  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
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 21 16  1  0  0  0  0
 22  5  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 26  4  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005587-3D
FYIcenter.com

 45 48  0  0  0  0  0  0  0  0999 V2000
    1.8941    0.1234   -2.5442 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3094   -0.3435   -2.7096 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2190    0.3843   -3.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6085   -0.0535   -3.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4226    0.6821   -4.1307 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9245   -1.3371   -3.1811 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0479   -2.0472   -2.3392 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5888   -3.1686   -1.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8808   -3.8033   -0.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4350   -4.8422    0.0787 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8632   -4.8416    0.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1062   -3.9490    1.6653 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5005   -4.1973    2.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6097   -3.2826    3.9538 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3542   -2.1149    3.8010 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0258   -1.8832    2.5955 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9032   -2.7939    1.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3518   -6.2850    0.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7039   -6.5854    0.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1789   -7.8949    0.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3155   -8.9284    0.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9742   -8.6564    1.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4952   -7.3456    0.9515 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5338   -3.4202   -0.5072 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5408   -4.2322    0.6596 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    1.6497    0.2723   -1.4870 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1968   -0.6058   -2.9699 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5791   -3.4961   -2.0034 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518   -4.9938    0.9011 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4501   -4.4461   -0.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3925   -5.7974    0.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2230   -8.1098    0.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2931   -9.4613    1.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9403   -2.0690   -0.9995 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  2  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  2  0  0  0  0
  8  9  2  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 18  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  2  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 20  2  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  2  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 45  1  0  0  0  0
M  END
$$$$

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2023-11-13, 2409👍, 0💬