Molecule FYI-1002532

A

Molecule Summary:

ID: FYI-1002532
Names:
InChIKey: WKXPQJNIIYFTPC-OAQYLSRUSA-N
SMILES: CC(C)Nc4cc(c3ccc2c(C(=O)N[C@H](CO)c1cccc(Cl)c1)nn(C)c2c3)ccn4

Received at FYIcenter.com on: 2023-04-08

Molecule ID: FYI-1002532 Edit

Molecule Structure InChIKey: WKXPQJNIIYFTPC-OAQYLSRUSA-N

Molecule Structure SMILES String: CC(C)Nc4cc(c3ccc2c(C(=O)N[C@H](CO)c1cccc(Cl)c1)nn(C)c2c3)ccn4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002532
FYIcenter.com

 33 36  0  0  1  0  0  0  0  0999 V2000
    1.2124   14.8699    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   13.4699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   12.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   11.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   11.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.6699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.3699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    9.2699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.5699    0.0000 O   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
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  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
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  8  9  1  6  0  0  0
 10  9  1  0  0  0  0
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 30 15  1  0  0  0  0
 31 14  1  0  0  0  0
 32  8  1  0  0  0  0
 33 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002532-3D
FYIcenter.com

 59 62  0  0  1  0  0  0  0  0999 V2000
   -0.0299    7.8699   -9.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3190    7.4987   -8.0929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0392    6.0041   -7.9009 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7359    7.8246   -7.8827 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2396    7.5851   -6.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6052    7.3266   -6.4810 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1758    7.0577   -5.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6182    6.7447   -5.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2919    6.0495   -6.1482 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6809    5.8560   -6.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4403    6.3911   -5.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8213    6.4232   -4.6942 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9554    5.7330   -5.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8044    5.0397   -6.3662 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1846    5.9333   -4.7748 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4684    5.3291   -5.1588 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.8219    5.4112   -6.6775 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1299    4.4990   -7.5237 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7076    3.9716   -4.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0748    2.8028   -4.9494 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3461    1.5524   -4.3768 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2696    1.4429   -3.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8950    2.5892   -2.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-04-13, 2773👍, 0💬