Molecule FYI-1007842

A

Molecule Summary:

ID: FYI-1007842
Names:
InChIKey: WZVBRDGOJMMQPR-UHFFFAOYSA-N
SMILES: Clc4ccc(Nc3nccc(Nc1ccccc1CN2CCOCC2)n3)cc4

Received at FYIcenter.com on: 2024-03-18

Molecule ID: FYI-1007842 Edit

Molecule Structure InChIKey: WZVBRDGOJMMQPR-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc4ccc(Nc3nccc(Nc1ccccc1CN2CCOCC2)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007842
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
   10.9119    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.0000    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
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    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
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    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
  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  5  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-1007842-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    7.8610   -4.3412   -0.5613 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3645   -2.9143    0.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6168   -1.9565   -0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2039   -0.8054    0.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5208   -0.6063    1.6111 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1475    0.5645    2.3021 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0278    1.3449    1.9847 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8747    0.7363    1.6651 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8358    1.5218    1.3709 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9147    2.8879    1.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1417    3.4468    1.7176 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2023    4.8605    1.6866 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1520    5.8462    2.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1694    6.9700    1.1632 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9620    8.0947    1.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7567    8.1484    2.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7828    7.0571    3.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0109    5.8803    3.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3073    4.7484    4.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5582    4.6378    5.3938 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6259    5.8148    6.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9996    6.0560    6.9389 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4830    4.8973    7.6305 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4978    3.7509    6.7719 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0980    3.4880    6.1755 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1994    2.6755    2.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3116   -1.5606    2.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7215   -2.7196    1.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3433   -2.0937   -1.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6223   -0.0644   -0.2852 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9185    1.2160    2.3964 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9171    1.0074    1.1082 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0523    3.4937    1.1449 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6976    5.1544    0.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5536    6.9695    0.2651 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9506    8.9184    0.6714 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3744    9.0186    2.7032 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4538    7.1183    4.2181 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3853    4.8032    4.3210 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2122    3.8045    3.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9061    5.6388    7.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2698    6.7177    5.7786 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7543    6.3696    6.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8124    2.8938    7.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2651    3.8883    6.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4066    3.2918    7.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1099    2.5785    5.5636 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5825   -1.4222    3.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3069   -3.4659    2.1213 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 28  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  1  0  0  0  0
  5 27  2  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  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  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  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 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  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 47  1  0  0  0  0
 25 48  1  0  0  0  0
 27 28  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
M  END
$$$$

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2024-03-23, 141👍, 0💬