Molecule FYI-1009122

A

Molecule Summary:

ID: FYI-1009122
Names:
InChIKey: MVWVFYHBGMAFLY-UHFFFAOYSA-N
SMILES: O=C5Cc4cc(CCN3CCN(c1nsc2ccccc12)CC3)c(Cl)cc4N5

Received at FYIcenter.com on: 2024-05-01

Molecule ID: FYI-1009122 Edit

Molecule Structure InChIKey: MVWVFYHBGMAFLY-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C5Cc4cc(CCN3CCN(c1nsc2ccccc12)CC3)c(Cl)cc4N5

Download SDF Download SVG Structure in 2D SDF:

FYI-1009122
FYIcenter.com

 28 32  0  0  0  0  0  0  0  0999 V2000
   10.8290    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6165    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6165    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1916    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5543    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5543    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2228    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2228    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1916    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.2538    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5328    4.3306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4696    5.3710    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.7696    6.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2022    7.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2655    8.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8961    8.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4634    7.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4002    6.2924    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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 18 12  1  0  0  0  0
 19 10  1  0  0  0  0
 20  3  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
 28 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009122-3D
FYIcenter.com

 49 53  0     0  0  0  0  0  0999 V2000
   -3.7598   -3.2474    0.7298 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9150   -1.2788   -0.2655 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1804    2.5521   -0.6990 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3209   -1.2915   -0.0968 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1422   -0.8571   -0.1988 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471   -1.8078   -0.3286 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2498    0.4283   -0.3103 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9204   -0.1382    0.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0751   -1.5964   -1.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3741   -0.4220    0.9717 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5333   -1.9298   -0.9953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0826   -1.0283   -0.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5379   -0.7560   -0.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3518   -0.5510    0.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1589    0.5296   -0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0798    0.9989    0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7478    0.7689    0.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9820   -0.0591   -0.0135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2622   -1.6140    0.4741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7948    2.2855   -0.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5482    0.3881   -0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6069   -1.3720    0.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2361    1.8213   -0.4423 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6179    1.8230    0.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4150    1.4831    0.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4727    2.9212    0.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8527    2.7510    0.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4174    0.0918    1.5278 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6324   -2.4606   -1.8292 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7921    0.4589    1.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.7751   -1.6343    1.5637 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.0684   -0.1593   -0.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5465    2.0011    0.1349 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0534    3.9162    0.4068 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5034    3.6147    0.3657 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2  6  1  0  0  0  0
  2 22  1  0  0  0  0
  3 24  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 14  2  0  0  0  0
  7 19  1  0  0  0  0
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  7 45  1  0  0  0  0
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  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 15  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 20  2  0  0  0  0
 16 22  1  0  0  0  0
 16 25  2  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 21  1  0  0  0  0
 18 41  1  0  0  0  0
 19 23  2  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 26  2  0  0  0  0
 23 44  1  0  0  0  0
 25 27  1  0  0  0  0
 25 46  1  0  0  0  0
 26 28  1  0  0  0  0
 26 47  1  0  0  0  0
 27 28  2  0  0  0  0
 27 48  1  0  0  0  0
 28 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-05, 1765👍, 0💬