Molecule FYI-1002540

A

Molecule Summary:

ID: FYI-1002540
Names:
InChIKey: HYBWNFVNJSJXGS-UHFFFAOYSA-N
SMILES: Cc4ccc(c2nc1ncccn1c2NC(=O)c3ccco3)cc4

Received at FYIcenter.com on: 2023-04-10

Molecule ID: FYI-1002540 Edit

Molecule Structure InChIKey: HYBWNFVNJSJXGS-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4ccc(c2nc1ncccn1c2NC(=O)c3ccco3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002540
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    0.6253    9.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6658    8.6861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3747    7.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4151    6.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7466    6.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0377    8.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9972    9.1187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7870    5.8758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9196    3.9140    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3523    2.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7216    2.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6584    3.3319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2257    4.6633    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8563    4.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1563    6.1669    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.2529    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  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  2  0  0  0  0
 10  9  1  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
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 15 14  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  2  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 24 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002540-3D
FYIcenter.com

 38 41  0     0  0  0  0  0  0999 V2000
   -1.1329    3.4822   -0.4694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4966    0.2732    1.0208 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4902    0.3235   -0.0658 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1163   -1.8695    0.0056 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2461    1.2083   -0.1994 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4169   -1.0843    0.0732 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1312    0.1643   -0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9271   -1.1927   -0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3480   -1.8426   -0.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0586   -0.9437    0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2452    1.4846   -0.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1959   -1.6635   -1.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7424   -2.6556    0.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8325   -3.1100   -0.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4380   -2.2971   -1.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9847   -3.2893    0.9288 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5786    1.4034   -0.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0581    1.2223    0.3843 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1081    0.0160    0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7665    2.4887    0.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1604   -3.7872   -0.1973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0159    2.8993    0.6104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1592    4.2306    0.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9872    4.5388   -0.4985 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6170    2.1004   -0.5157 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7355    2.4382   -0.1367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9049   -1.0403   -2.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0943   -2.8049    1.8197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0884   -2.1522   -2.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2802   -3.9213    1.7621 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2466    2.2518   -0.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2071   -0.0549    0.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8936   -3.1924   -0.7527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5595   -3.9244    0.8134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0703   -4.7680   -0.6747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7366    2.3154    1.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0102    4.8839    0.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6241    5.4191   -1.0084 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1 24  1  0  0  0  0
  2 18  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  2  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  5 25  1  0  0  0  0
  6 10  1  0  0  0  0
  6 19  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 11 17  2  0  0  0  0
 11 26  1  0  0  0  0
 12 15  1  0  0  0  0
 12 27  1  0  0  0  0
 13 16  2  0  0  0  0
 13 28  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 21  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 19  1  0  0  0  0
 17 31  1  0  0  0  0
 18 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 22  2  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  1  0  0  0  0
 22 36  1  0  0  0  0
 23 24  2  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-13, 1024👍, 0💬