Molecule FYI-1003096

A

Molecule Summary:

ID: FYI-1003096
Names:
InChIKey: LCVCYSOCOBANQW-UHFFFAOYSA-N
SMILES: Nc2ncc(c1ccc(O)cc1)cc2c3cc(F)c(O)c(F)c3

Received at FYIcenter.com on: 2023-05-10

Molecule ID: FYI-1003096 Edit

Molecule Structure InChIKey: LCVCYSOCOBANQW-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc2ncc(c1ccc(O)cc1)cc2c3cc(F)c(O)c(F)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003096
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    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
    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
    3.6373    2.8000    0.0000 C   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
    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
    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 O   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
    0.0000    2.1000    0.0000 F   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
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 N   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
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2433    4.6326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 15  7  1  0  0  0  0
 16  6  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18  4  1  0  0  0  0
 19  3  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21  1  1  0  0  0  0
 16 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003096-3D
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
    2.3206   -0.0320    0.1189 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9274   -0.0880    0.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3518    1.1287    0.0353 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9994    1.1855   -0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8473    0.0838   -0.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3202    0.2125   -0.1223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9252    1.2749   -0.8245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3175    1.4002   -0.9148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1292    0.4497   -0.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4873    0.5244   -0.3786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5714   -0.6134    0.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1807   -0.7260    0.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2015   -1.1624    0.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2061   -1.2931    0.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8263   -2.6464    0.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2540   -3.7661   -0.4274 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8336   -5.0319   -0.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2493   -6.0774   -0.9264 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0064   -5.2260    0.3892 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5824   -6.4624    0.4709 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5900   -4.1417    1.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324   -4.2885    1.7083 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0006   -2.8776    0.9549 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5774    0.9486    0.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7371   -0.5994   -0.6104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3877    2.2006   -0.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3182    2.0236   -1.3299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7404    2.2378   -1.4605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7327    1.3185   -0.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2141   -1.3540    0.8484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7835   -1.5613    1.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8124   -2.0606    0.0498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6512   -3.6792   -1.0226 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161   -7.0823   -0.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4862   -2.0754    1.5066 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  2  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 23  2  0  0  0  0
 16 17  2  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 35  1  0  0  0  0
M  END
$$$$

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2023-06-12, 1762👍, 0💬