Molecule FYI-1003269

A

Molecule Summary:

ID: FYI-1003269
Names:
InChIKey: FYDKBDZNJPUFED-UHFFFAOYSA-N
SMILES: COc3ccc(OC)c(c2ncc(c1ccccc1OC)o2)c3

Received at FYIcenter.com on: 2023-05-31

Molecule ID: FYI-1003269 Edit

Molecule Structure InChIKey: FYDKBDZNJPUFED-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3ccc(OC)c(c2ncc(c1ccccc1OC)o2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003269
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.8271    4.9693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2597    6.3008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1271    7.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9944    6.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4271    4.9693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630    6.7334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500    3.8367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    8.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    8.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    6.2293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226    5.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0805    2.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9034    1.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2958    1.5714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8652    2.8504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0423    3.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6117    5.2620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3339    0.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4123    9.0396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7438    8.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0040    5.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9415    0.0000    0.0000 C   0  0  0  0  0  0  0  0  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  1  1  0  0  0  0
  4  6  1  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
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 11 12  2  0  0  0  0
  6 12  1  0  0  0  0
  6  8  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
  7 17  1  0  0  0  0
  7 13  2  0  0  0  0
 17 18  1  0  0  0  0
 14 19  1  0  0  0  0
  8 20  1  0  0  0  0
 20 21  1  0  0  0  0
 18 22  1  0  0  0  0
 19 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003269-3D
FYIcenter.com

 40 42  0     0  0  0  0  0  0999 V2000
    0.3526    0.2745    0.0680 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5722   -2.5838   -0.2102 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0355   -1.5198   -0.2317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9748    2.7428    0.0529 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0876   -1.7758    0.9152 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9382   -0.2948    0.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5377   -0.3115    0.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721   -0.6646    0.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7303    0.4639    0.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8977   -1.2613   -0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2999    1.0507    0.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9393   -0.1612   -0.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2660   -1.5553    0.9094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6213    1.4299   -0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2190   -0.8821   -0.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6617    1.8556    0.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5808    0.4635   -0.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0797    0.6053   -0.4018 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8020    2.6221   -0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0111    1.9970   -0.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6244   -3.4927   -0.5252 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3149   -2.0619   -0.5502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3429    3.0596   -0.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5721    1.8223    0.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9542   -2.3002    1.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0193   -1.5737   -0.6165 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7349    2.3700    0.4511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6238    0.6894   -0.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0534    0.1941   -0.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7493    3.7057    0.0201 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8985    2.5950   -0.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1874   -4.4968   -0.5387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4008   -3.4974    0.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0298   -3.3121   -1.5267 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2073   -3.1517   -0.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6424   -1.7657   -1.5527 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0575   -1.8277    0.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6343    2.7967   -1.2227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0049    2.6117    0.5487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4453    4.1459   -0.1081 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2 10  1  0  0  0  0
  2 21  1  0  0  0  0
  3 12  1  0  0  0  0
  3 22  1  0  0  0  0
  4 14  1  0  0  0  0
  4 23  1  0  0  0  0
  5  8  2  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  2  0  0  0  0
  9 12  1  0  0  0  0
  9 16  2  0  0  0  0
 10 15  1  0  0  0  0
 11 14  2  0  0  0  0
 11 24  1  0  0  0  0
 12 18  2  0  0  0  0
 13 25  1  0  0  0  0
 14 17  1  0  0  0  0
 15 17  2  0  0  0  0
 15 26  1  0  0  0  0
 16 19  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 20  1  0  0  0  0
 18 29  1  0  0  0  0
 19 20  2  0  0  0  0
 19 30  1  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
M  END
$$$$

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2023-06-12, 1588👍, 0💬