Molecule FYI-1004666

A

Molecule Summary:

ID: FYI-1004666
Names:
InChIKey: KKFMKOVCHRLPFH-GIDUJCDVSA-N
SMILES: Cc3cc(/C(N)=N/OC(=O)N/C(=C/CN)CC2=CN(c1ccccc1N)COC2)no3

Received at FYIcenter.com on: 2023-09-20

Molecule ID: FYI-1004666 Edit

Molecule Structure InChIKey: KKFMKOVCHRLPFH-GIDUJCDVSA-N

Molecule Structure SMILES String: Cc3cc(/C(N)=N/OC(=O)N/C(=C/CN)CC2=CN(c1ccccc1N)COC2)no3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004666
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   16.6344    5.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0650    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6956    3.4923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 N   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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    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
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8282    1.5306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    2.5710    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
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 13  2  0  0  0  0
 18 17  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 26 11  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29  9  2  0  0  0  0
 30  4  2  0  0  0  0
 31 30  1  0  0  0  0
 31  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004666-3D
FYIcenter.com

 56 58  0  0  0  0  0  0  0  0999 V2000
   -9.0794   -1.3282   -5.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9438   -1.2802   -4.5160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3856   -2.1930   -3.6638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3238   -1.4995   -3.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4185   -2.0298   -2.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5295   -1.1078   -1.5202 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5627   -3.2812   -1.7070 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7166   -3.6968   -0.6574 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3143   -4.9874   -0.9255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7307   -5.3027   -1.9582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7183   -5.8556    0.0797 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5328   -7.2374    0.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2910   -7.7067   -0.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.8137   -8.0569    0.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1935   -8.5058    1.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5022   -8.2390    2.6931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6410   -8.9588    3.8667 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5330   -9.2492    4.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7870   -9.6434    6.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 33  1  0  0  0  0
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  2  3  2  0  0  0  0
  2 31  1  0  0  0  0
  3  4  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
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 20 25  2  0  0  0  0
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 29 56  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-23, 1815👍, 0💬