Molecule FYI-1007180

A

Molecule Summary:

ID: FYI-1007180
Names:
InChIKey: BSFJHCBSPKLEGE-CMDGGOBGSA-N
SMILES: Oc3cc(/C=C/c1cccc2[nH]ccc12)nc4ccccc34

Received at FYIcenter.com on: 2024-02-06

Molecule ID: FYI-1007180 Edit

Molecule Structure InChIKey: BSFJHCBSPKLEGE-CMDGGOBGSA-N

Molecule Structure SMILES String: Oc3cc(/C=C/c1cccc2[nH]ccc12)nc4ccccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1007180
FYIcenter.com

 22 25  0  0  0  0  0  0  0  0999 V2000
    1.2125    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9523    3.0369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3830    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9906    4.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
 10 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 14 19  1  0  0  0  0
 14 15  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 19 22  1  0  0  0  0
 18 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007180-3D
FYIcenter.com

 36 39  0  0  0  0  0  0  0  0999 V2000
    4.8343    2.3637    0.3534 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2198    1.1388    0.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9822   -0.0131    0.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3191   -1.2313    0.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0876   -2.4783   -0.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380   -3.7004   -0.1362 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3126   -4.9366   -0.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5520   -4.9659   -0.9878 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2437   -6.1592   -1.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7163   -7.3719   -0.7389 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4699   -7.3448   -0.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7223   -8.3870    0.3995 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5624   -7.9142    0.9494 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5571   -6.5456    0.8023 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7558   -6.1632    0.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9735   -1.3348    0.2035 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2444   -0.2150    0.3475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8643   -0.3234    0.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0471    0.7972    0.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6149    2.0641    0.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9963    2.2013    0.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8224    1.0675    0.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7970    2.2437    0.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0616    0.0314    0.0896 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1655   -2.3592   -0.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4562   -3.8125   -0.1002 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9859   -4.0503   -1.3802 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2025   -6.1453   -1.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2538   -8.3011   -0.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9940   -9.3589    0.3562 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8437   -8.5882    1.3955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7717   -5.8841    1.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4130   -1.3120    0.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0282    0.6737    0.7246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0111    2.9414    0.8186 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4384    3.1946    0.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  2  0  0  0  0
  3  4  2  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  2  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  2  0  0  0  0
  8  9  2  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  2  0  0  0  0
 10 29  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  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
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  2  0  0  0  0
 20 35  1  0  0  0  0
 21 22  1  0  0  0  0
 21 36  1  0  0  0  0
M  END
$$$$

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