Molecule FYI-1015437

A

Molecule Summary:

ID: FYI-1015437
Names:
InChIKey: JXGBKBGMDZDRRS-BJMVGYQFSA-N
SMILES: Cc2c(C(=O)/C=C/c1ccc(C(F)(F)F)cc1)nnn2c4ccc3c(cnn3C)c4

Received at FYIcenter.com on: 2025-09-02

Molecule ID: FYI-1015437 Edit

Molecule Structure InChIKey: JXGBKBGMDZDRRS-BJMVGYQFSA-N

Molecule Structure SMILES String: Cc2c(C(=O)/C=C/c1ccc(C(F)(F)F)cc1)nnn2c4ccc3c(cnn3C)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015437
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
   11.2695    5.2512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9785    3.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.9153    2.8414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.8771    4.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.5632    1.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.4846    3.1341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4214    4.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1305    1.8552    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  2  0  0  0  0
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  7  6  2  0  0  0  0
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  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
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 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  2  0  0  0  0
 17  8  1  0  0  0  0
 18  3  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 20  2  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  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  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 28 24  1  0  0  0  0
 29 28  1  0  0  0  0
 30 25  2  0  0  0  0
 30 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015437-3D
FYIcenter.com

 46 49  0  0  0  0  0  0  0  0999 V2000
    0.6122   -0.0735   -0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0605    0.0575    0.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000   -0.8656    0.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0586   -2.3204    0.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0321   -2.9804   -0.0513 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4189   -2.9414    0.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6626   -4.2541    0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0559   -4.7122    0.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6166   -5.0324    1.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9734   -5.3670    1.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7941   -5.3836    0.2931 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2608   -5.7341    0.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6737   -6.0168    1.6564 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.5862   -6.8250   -0.3595 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0690   -4.7284   -0.0488 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.2268   -5.0591   -0.9498 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8696   -4.7244   -1.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2863   -0.1794    0.3636 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0325    1.1141    0.4003 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6947    1.2783    0.4516 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1313    2.5650    0.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7720    3.6748    0.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1701    4.9396    0.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9194    5.0508    0.7004 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4743    1.8968    1.8698 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
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  4  6  1  0  0  0  0
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  6 34  1  0  0  0  0
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 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 30  2  0  0  0  0
 22 23  2  0  0  0  0
 22 40  1  0  0  0  0
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 29 43  1  0  0  0  0
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 29 45  1  0  0  0  0
 30 46  1  0  0  0  0
M  END
$$$$

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2025-11-06, 325👍, 0💬