Molecule FYI-1006653

A

Molecule Summary:

ID: FYI-1006653
Names:
InChIKey: GWOWBRFDLSCOJX-UHFFFAOYSA-N
SMILES: Cc3c(c1cccc(O)c1)c(=O)oc4cc(OCCn2ccnn2)ccc34

Received at FYIcenter.com on: 2024-01-09

Molecule ID: FYI-1006653 Edit

Molecule Structure InChIKey: GWOWBRFDLSCOJX-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3c(c1cccc(O)c1)c(=O)oc4cc(OCCn2ccnn2)ccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1006653
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
   10.7029    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    4.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.5166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    2.8077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3402    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5526    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5526    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3402    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    2.8000    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  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  2  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 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 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 15  1  0  0  0  0
 20 11  2  0  0  0  0
 20  7  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  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 21  1  0  0  0  0
 25 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006653-3D
FYIcenter.com

 44 47  0  0  0  0  0  0  0  0999 V2000
   -0.2702   -2.9944   -0.0718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5646   -1.5133   -0.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8141   -0.9849   -0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0079   -1.8555   -0.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5897   -2.2357   -1.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6914   -3.0949   -1.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2168   -3.5853   -0.0685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6428   -3.1980    1.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1175   -3.6653    2.3298 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5545   -2.3313    1.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0435    0.4891   -0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1685    0.9780    0.0060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9226    1.3013   -0.0166 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3756    0.7695   -0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4157    1.7053   -0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7376    1.2710    0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8381    2.0921    0.0161 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6271    3.3732    0.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9058    4.2013    0.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7243    5.4977    1.1936 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3782    6.0300    2.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7975    7.2667    2.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8306    7.4386    1.4727 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7988    6.3491    0.7173 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9928   -0.1002    0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5992   -0.6020   -0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2443   -3.3082    0.8421 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3598   -3.2333   -0.9368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1885   -1.8650   -2.1865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1377   -3.3819   -2.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0685   -4.2575   -0.0985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8461   -4.2825    2.1537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1373   -2.0356    2.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1481    2.7556   -0.0351 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3238    3.2244    1.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8443    3.9223    0.0933 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2204    4.3728   -0.4608 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7287    3.6835    1.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1687    5.5194    2.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0156    8.0303    3.1518 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0196   -0.4597    0.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1940   -2.0829    0.0161 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  2  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  2  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 34  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
 14 15  1  0  0  0  0
 14 27  2  0  0  0  0
 15 16  2  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  2  0  0  0  0
 25 26  2  0  0  0  0
 25 43  1  0  0  0  0
 26 27  1  0  0  0  0
 26 44  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-15, 252👍, 0💬