Molecule FYI-1004448

A

Molecule Summary:

ID: FYI-1004448
Names:
InChIKey: UOYHSKBWYNEVMD-UHFFFAOYSA-N
SMILES: Cc3c(Nc2cccc(NC(=O)c1ccc(O)cc1)c2)cnc4[nH]ccc34

Received at FYIcenter.com on: 2023-09-06

Molecule ID: FYI-1004448 Edit

Molecule Structure InChIKey: UOYHSKBWYNEVMD-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3c(Nc2cccc(NC(=O)c1ccc(O)cc1)c2)cnc4[nH]ccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1004448
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1648    9.3368    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5954   10.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2031   10.4694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.1000    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  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  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  9  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
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 17 11  1  0  0  0  0
 18  7  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20  5  1  0  0  0  0
 21  3  1  0  0  0  0
 22 21  2  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  2  0  0  0  0
 27 26  1  0  0  0  0
 27  2  1  0  0  0  0
 27 23  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004448-3D
FYIcenter.com

 45 48  0  0  0  0  0  0  0  0999 V2000
    0.6605   -0.4769    0.6486 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1476   -0.2639    0.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0643   -1.2488    0.2139 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6009   -2.4990   -0.2572 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2836   -3.7264   -0.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2445   -4.4829   -1.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9720   -5.6701   -1.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7485   -6.1050   -0.5212 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8108   -5.3598    0.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5775   -5.7358    1.7819 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5522   -6.7154    1.8051 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9547   -7.3643    0.8461 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2086   -6.9494    3.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5189   -6.8451    4.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1780   -7.1298    5.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5158   -7.5177    5.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1920   -7.8213    6.6540 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2075   -7.6259    4.3092 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5533   -7.3462    3.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0709   -4.1757    0.7444 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4359   -0.9598    0.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0001    0.1855    0.7819 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0799    1.0927    1.1421 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3783    2.3424    1.6110 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2214    3.0285    1.8754 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1642    2.1905    1.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6976    0.9586    1.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3639   -1.4880    0.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1867    0.2251   -0.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2636   -0.3021    1.6544 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8011   -2.4294   -0.8767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6703   -4.1493   -2.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9466   -6.2576   -2.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2884   -7.0400   -0.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4822   -5.1493    2.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4647   -6.5823    4.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6355   -7.0598    6.4754 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5821   -7.7675    7.4065 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2474   -7.9405    4.3031 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0890   -7.4469    2.1705 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0960   -3.5845    1.6563 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1739   -1.6876   -0.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3212    2.6853    1.7215 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2504    4.0465    2.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1170    2.4407    1.6983 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  2  0  0  0  0
  3  4  1  0  0  0  0
  3 21  2  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  2  0  0  0  0
  6  7  2  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  2  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  2  0  0  0  0
 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 24 43  1  0  0  0  0
 25 26  2  0  0  0  0
 25 44  1  0  0  0  0
 26 27  1  0  0  0  0
 26 45  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-10, 1690👍, 0💬