Molecule FYI-1009138

A

Molecule Summary:

ID: FYI-1009138
Names:
InChIKey: LWHWMDOVMNNHOU-CPJFBASOSA-I
SMILES: O=c1nc(N[Cu](Cl)Cl)ccn1[C@@H]2O[C@H](CO)[C@@H](O[Cu](Cl)Cl)C2(F)F

Received at FYIcenter.com on: 2024-05-01

Molecule ID: FYI-1009138 Edit

Molecule Structure InChIKey: LWHWMDOVMNNHOU-CPJFBASOSA-I

Molecule Structure SMILES String: O=c1nc(N[Cu](Cl)Cl)ccn1[C@@H]2O[C@H](CO)[C@@H](O[Cu](Cl)Cl)C2(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1009138
FYIcenter.com

 24 25  0  0  1  0  0  0  0  0999 V2000
    6.4718    4.9807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9024    6.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5101    6.4060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6871    5.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2948    5.4198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2566    3.9945    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6489    3.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2183    2.5692    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    7.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    8.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7038    9.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    7.9761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.3684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9950   11.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9196    8.3281    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7732    9.7204    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5062    1.3638    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
    4.8792   12.3927    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
    6.2587   12.6318    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7274   13.7845    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8224    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.2193    0.8127    0.0000 Cl  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  4  1  0  0  0  0
  7  6  2  0  0  0  0
  7  1  1  0  0  0  0
  8  7  1  0  0  0  0
  9  3  1  6  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13  9  1  0  0  0  0
 12 14  1  6  0  0  0
 15 14  1  0  0  0  0
 11 16  1  1  0  0  0
 17 10  1  0  0  0  0
 18 10  1  0  0  0  0
  8 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009138-3D
FYIcenter.com

 33 34  0  0  1  0  0  0  0  0999 V2000
    4.5440   -2.1057    0.9403 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9944   -1.1074    0.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5779    0.1035    0.6973 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145    1.2460    0.2330 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6569    2.4879    0.4422 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3614    2.6167    1.4081 Cu  0  0  0  0  0  0  0  0  0  0  0  0
    7.4222    0.7239    2.0929 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.4521    4.6114    1.3420 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8038    1.1813   -0.4564 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2078   -0.0618   -0.6582 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7973   -1.2056   -0.1874 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1547   -2.5203   -0.4007 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3314   -2.5371   -1.5580 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1951   -3.3323   -1.2498 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0632   -2.4472   -1.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2189   -3.2093   -1.0975 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4269   -3.9660    0.1347 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1893   -5.1337   -0.0087 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4709   -5.7172    1.7832 Cu  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3968   -6.6093    2.7331 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3035   -7.0449    1.9854 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2687   -2.9005    0.7804 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9909   -3.3411    1.8765 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4746   -1.8328    1.1648 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2478    3.3599    0.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3294    2.0801   -0.8316 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2652   -0.0996   -1.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9323   -3.2990   -0.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0649   -4.1389   -2.0058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0157   -1.5735   -0.6434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1371   -2.0207   -2.3525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4799   -3.0640   -0.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5012   -4.2432    0.6770 H   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
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  9 10  2  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
 12 28  1  6  0  0  0
 13 14  1  0  0  0  0
 14 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  6  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 17 33  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
$$$$

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2024-05-05, 545👍, 0💬