Molecule FYI-1007861

A

Molecule Summary:

ID: FYI-1007861
Names:
InChIKey: AGUIWLKIUQCKRL-UHFFFAOYSA-N
SMILES: Clc1ccccc1Nc4nccc(Nc2ccccc2CN3CCOCC3)n4

Received at FYIcenter.com on: 2024-03-19

Molecule ID: FYI-1007861 Edit

Molecule Structure InChIKey: AGUIWLKIUQCKRL-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc1ccccc1Nc4nccc(Nc2ccccc2CN3CCOCC3)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007861
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 N   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  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  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  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  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007861-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
   -4.1709    0.7259    2.2051 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.9753   -0.5190    3.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1414   -0.1749    3.7859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7993   -1.1185    4.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2865   -2.4095    4.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1127   -2.7526    4.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4329   -1.8114    3.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2706   -2.2098    2.5576 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0606   -2.3710    1.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8564   -2.8988    0.9062 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5746   -3.1129   -0.3795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4644   -2.8380   -1.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6920   -2.2960   -1.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4971   -1.8785   -2.1225 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8990   -1.7093   -2.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6555   -0.9293   -1.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9983   -0.6331   -1.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6057   -1.1129   -2.8336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8594   -1.8529   -3.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5006   -2.1316   -3.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7144   -2.8493   -4.5808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3593   -1.9893   -5.7278 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6859   -2.7660   -6.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2273   -3.1338   -6.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4431   -1.9706   -6.1825 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0182   -1.1964   -5.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4924   -0.8432   -5.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9974   -2.0572    0.2660 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5338    0.8373    3.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7072   -0.8477    5.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8042   -3.1526    5.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7351   -3.7701    4.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6614   -2.8544    3.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5869   -3.5121   -0.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2141   -3.0493   -2.4111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1010   -0.9646   -2.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1973   -0.5052   -0.5063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5678   -0.0034   -0.9966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6483   -0.8871   -3.0461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3226   -2.1896   -4.6681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3689   -3.6511   -4.9542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8485   -3.3678   -4.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6888   -2.1477   -7.6984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2591   -3.6675   -7.0351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7740   -3.6168   -7.3403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1577   -3.8399   -5.6333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4362   -0.2716   -5.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8864   -1.7354   -4.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5220   -0.1570   -6.2432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8953   -0.2634   -4.5502 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  2  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
M  END
$$$$

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2024-03-23, 132👍, 0💬