Molecule FYI-1009082

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A

Molecule Summary:

ID: FYI-1009082
Names:
InChIKey: FHBBNNBUWOHJHW-UHFFFAOYSA-N
SMILES: N#CCc3cc(n2c1CCCc1ccc2=O)c(F)cc3Cl

Received at FYIcenter.com on: 2024-04-29

Molecule ID: FYI-1009082 Edit

Molecule Structure InChIKey: FHBBNNBUWOHJHW-UHFFFAOYSA-N

Molecule Structure SMILES String: N#CCc3cc(n2c1CCCc1ccc2=O)c(F)cc3Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1009082
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.2746    5.6000    0.0000 N   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
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    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
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    5.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8958    6.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035    6.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    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
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
  3  2  1  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  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  1  0  0  0  0
 12 11  1  0  0  0  0
 12  8  2  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
 15  7  1  0  0  0  0
 16 15  2  0  0  0  0
 17  6  2  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 20  4  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009082-3D
FYIcenter.com

 33 35  0  0  0  0  0  0  0  0999 V2000
    7.0897   -4.4680   -3.1160 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0220   -3.9668   -3.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7350   -3.3627   -4.0997 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5494   -1.9824   -3.5153 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0708   -0.8837   -4.2216 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0061    0.4091   -3.6907 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4928    1.5077   -4.4539 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4809    2.3588   -3.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2910    2.1517   -2.7516 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2889    3.3160   -2.7771 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0098    4.1466   -4.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8906    3.4186   -4.6872 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3040    3.7441   -5.9501 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3598    2.9421   -6.4578 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9035    1.7290   -5.7169 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0399    1.0203   -6.2379 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4247    0.5979   -2.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3075    1.8282   -1.9127 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9026   -0.4731   -1.7189 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9630   -1.7588   -2.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2995   -3.0495   -1.3229 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8852   -4.0137   -3.8712 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7922   -3.3090   -5.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5580   -1.0355   -5.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8195    1.1927   -2.7812 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6909    2.1948   -1.8398 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3201    2.9419   -2.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1805    3.9328   -1.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8958    4.1868   -4.6785 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7215    5.1701   -3.7712 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6340    4.6317   -6.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8775    3.1324   -7.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4466   -0.2892   -0.7514 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  2  0  0  0  0
  5  6  2  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
$$$$

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2024-05-05, 1096👍, 0💬