Molecule FYI-1004587

A

Molecule Summary:

ID: FYI-1004587
Names:
InChIKey: YIFGGAIZEIIHAL-UHFFFAOYSA-N
SMILES: CCOC(=O)c5nc4c(F)cc(c3nc(Nc2ccc(CN1CCN(CC)CC1)cn2)ncc3F)cc4n5C(C)C

Received at FYIcenter.com on: 2023-09-14

Molecule ID: FYI-1004587 Edit

Molecule Structure InChIKey: YIFGGAIZEIIHAL-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)c5nc4c(F)cc(c3nc(Nc2ccc(CN1CCN(CC)CC1)cn2)ncc3F)cc4n5C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1004587
FYIcenter.com

 41 45  0  0  0  0  0  0  0  0999 V2000
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0621    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   13.1580    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  5  4  1  0  0  0  0
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  9  6  1  0  0  0  0
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 37 20  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004587-3D
FYIcenter.com

 75 79  0  0  0  0  0  0  0  0999 V2000
    3.9663    2.7099    4.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0903    3.7336    2.7763 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3933    5.0632    2.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1056    5.7916    3.7715 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1773    5.4394    1.6614 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2508    5.2312   -0.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8379    4.7755   -1.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    3.5116   -1.8078 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.6276    5.6359   -2.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8492    6.9638   -1.7717 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7243    7.8711   -2.5449 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4266    8.7441   -1.7844 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2966    9.5875   -2.3651 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0886   10.4188   -1.5839 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4050   10.3440   -0.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1726   10.2067    2.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5854   10.1591    3.8889 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3405   11.4048    4.6331 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8217   11.2802    6.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
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 41 75  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-23, 1365👍, 0💬