Molecule FYI-1004234

A

Molecule Summary:

ID: FYI-1004234
Names:
InChIKey: YOVZCQZBMAXLPR-UHFFFAOYSA-N
SMILES: Cc3c(c2cccc(NC(=O)c1ccc(F)c(F)c1)c2)nc4ncccn34

Received at FYIcenter.com on: 2023-08-23

Molecule ID: FYI-1004234 Edit

Molecule Structure InChIKey: YOVZCQZBMAXLPR-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3c(c2cccc(NC(=O)c1ccc(F)c(F)c1)c2)nc4ncccn34

Download SDF Download SVG Structure in 2D SDF:

FYI-1004234
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
    8.5263    4.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1948    5.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    6.3544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    7.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7622    8.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    8.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6622    7.5668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9295    5.0229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  2  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  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 23 16  1  0  0  0  0
 24 15  2  0  0  0  0
 25 13  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004234-3D
FYIcenter.com

 41 44  0     0  0  0  0  0  0999 V2000
   -7.6101   -0.1808   -0.8890 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1891   -2.6797    0.1369 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3221    2.2297    0.0994 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9313   -0.6783    0.4440 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7522    0.0591   -1.2937 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7361    0.4969    0.0009 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8114   -1.1604   -1.7252 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8396   -0.0371    0.9658 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1305    0.4071   -0.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9023    1.1391   -0.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8425   -0.5982   -0.9416 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6797    0.4620   -0.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5850    0.0866    2.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5174    1.1762   -0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9187    2.5358   -0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9763   -1.3147    1.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4961    2.5702    0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7219    3.2499    0.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9502   -1.8820    0.3737 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7833   -1.7529   -1.0983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0264    1.0406    0.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1346    0.0502    0.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3654    0.4172   -0.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8960   -1.2036    0.5972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4054   -0.5124   -0.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9356   -2.1330    0.6184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1902   -1.7875    0.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6608   -0.6259   -0.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918   -0.9014    2.8783 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4014    0.6248    2.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6601    0.6336    2.6226 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8593    3.0817   -0.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9764   -1.3361    2.1761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3776    3.1939    0.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7397    4.3354    0.0697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6422   -0.5114   -0.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8016   -2.3983    0.7916 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5847   -2.2190   -1.6950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5483    1.4033   -0.8443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9497   -1.5018    1.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7720   -3.1230    1.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 27  1  0  0  0  0
  3 21  2  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4 16  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  2  0  0  0  0
  6 14  1  0  0  0  0
  6 21  1  0  0  0  0
  6 36  1  0  0  0  0
  7 11  1  0  0  0  0
  7 20  2  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 10 15  1  0  0  0  0
 12 14  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 17  2  0  0  0  0
 15 18  2  0  0  0  0
 15 32  1  0  0  0  0
 16 19  2  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 39  1  0  0  0  0
 24 26  2  0  0  0  0
 24 40  1  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
 26 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-10, 2498👍, 0💬