Molecule FYI-1015402

A

Molecule Summary:

ID: FYI-1015402
Names:
InChIKey: NGMWDXIXFGPDPV-UHFFFAOYSA-N
SMILES: Clc8ccc(c6nc4Oc2ccc1ccccc1c2C(c3ccccc3)c4c7nc5ccccc5n67)cc8

Received at FYIcenter.com on: 2025-08-30

Molecule ID: FYI-1015402 Edit

Molecule Structure InChIKey: NGMWDXIXFGPDPV-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc8ccc(c6nc4Oc2ccc1ccccc1c2C(c3ccccc3)c4c7nc5ccccc5n67)cc8

Download SDF Download SVG Structure in 2D SDF:

FYI-1015402
FYIcenter.com

 38 45  0  0  0  0  0  0  0  0999 V2000
   13.3368    9.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   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
    7.2746    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8000    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
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    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5657    2.8306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9580    2.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5275    3.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9198    4.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7427    2.9770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1733    1.6980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7810    1.5517    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
  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
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  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  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
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 37 32  1  0  0  0  0
 38 33  1  0  0  0  0
 38  8  1  0  0  0  0
 38 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015402-3D
FYIcenter.com

 58 65  0  0  1  0  0  0  0  0999 V2000
   -2.0807    0.3105    0.0704 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3741    0.1414    0.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3866    1.1665    0.7496 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7816    1.0703    0.7454 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4171   -0.0542    0.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9090   -0.0503    0.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5318    0.5204    1.0805 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9038    0.5915    1.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3453    1.3108    2.1794 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6579    1.2924    2.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8940    1.7488    3.8180 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1704    1.6939    4.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2256    1.3731    3.4864 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5062    1.4193    4.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5473    1.8861    3.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4123    1.7727    1.8871 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2250    1.2515    1.3315 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0367    1.1363    2.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6840    0.9000    1.6606 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2623    0.2640    0.3189 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8203    1.0064   -0.8901 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5920    0.3237   -1.8523 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0699   -0.6645   -0.8898 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2383   -2.6202   -4.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 37  2  0  0  0  0
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  6 36  1  0  0  0  0
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  8 27  2  0  0  0  0
  9 10  1  0  0  0  0
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 10 19  2  0  0  0  0
 11 12  2  0  0  0  0
 11 41  1  0  0  0  0
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 15 16  1  0  0  0  0
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 20 47  1  0  0  0  0
 21 22  1  0  0  0  0
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 37 38  1  0  0  0  0
 37 57  1  0  0  0  0
 38 58  1  0  0  0  0
M  END
$$$$

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2025-11-06, 785👍, 0💬