Molecule FYI-1004563

Molecule Summary:

ID: FYI-1004563
Names:
InChIKey: KRDSGHKRGYBZAQ-UHFFFAOYSA-N
SMILES: COc3cc(N2CCN(N1CCN(C)CC1)CC2)ccc3Nc5nccc(Nc4ccccc4S(=O)(=O)C(C)C)n5

Received at FYIcenter.com on: 2023-09-13

Molecule ID: FYI-1004563 Edit

Molecule Structure InChIKey: KRDSGHKRGYBZAQ-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3cc(N2CCN(N1CCN(C)CC1)CC2)ccc3Nc5nccc(Nc4ccccc4S(=O)(=O)C(C)C)n5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004563
FYIcenter.com

 41 45  0  0  0  0  0  0  0  0999 V2000
    1.2124   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2122    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4244    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247   14.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6371   14.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2119    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6367    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6368    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4242    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496   14.0001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620   14.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0619   16.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8494   16.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370   16.1001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745   14.0003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   12.6003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.9002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   10.5002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    9.8003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   11.9004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994   12.6005    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.9006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6993   14.0005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118   13.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   12.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117   14.7006    0.0000 C   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  7 14  1  0  0  0  0
  7 10  1  0  0  0  0
 12 15  1  0  0  0  0
  6 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 15 22  1  0  0  0  0
 15 18  1  0  0  0  0
 20 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 17 28  1  0  0  0  0
 17 24  2  0  0  0  0
 25 29  1  0  0  0  0
 29 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 30 35  1  0  0  0  0
 30 31  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  2  0  0  0  0
 36 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004563-3D
FYIcenter.com

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