Molecule FYI-1006341

A

Molecule Summary:

ID: FYI-1006341
Names:
InChIKey: OIHJUJUGPKKYPR-LLVKDONJSA-O
SMILES: Cc1ccccc1C(=O)N2NN[NH2+][C@H]2C(C)C

Received at FYIcenter.com on: 2023-12-11

Molecule ID: FYI-1006341 Edit

Molecule Structure InChIKey: OIHJUJUGPKKYPR-LLVKDONJSA-O

Molecule Structure SMILES String: Cc1ccccc1C(=O)N2NN[NH2+][C@H]2C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006341
FYIcenter.com

 17 18  0  0  1  0  0  0  0  0999 V2000
    6.5389    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5389    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7513    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7513    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5389    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3265    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3265    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1139    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1139    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9015    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7552    0.7077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3857    0.4166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6857    1.6290    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.6226    2.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3314    4.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    4.9756    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  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  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  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
 14 10  1  0  0  0  0
 14 15  1  1  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006341-3D
FYIcenter.com

 36 37  0  0  1  0  0  0  0  0999 V2000
   -1.5066   -1.0127    0.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6882   -1.0970    1.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1851   -0.3913    2.4586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5369   -0.4357    3.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5896   -1.2303    3.8365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0808   -1.9467    2.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5165   -1.8298    1.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1891   -2.5079    0.2778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5266   -2.8678   -0.6933 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5809   -2.7447    0.2820 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4873   -2.0106    1.0616 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7120   -1.9620    0.3500 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6883   -2.9430   -0.6547 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.2222   -3.2360   -0.9186 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0291   -4.7333   -1.2437 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2592   -5.6568   -0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9115   -5.1858   -2.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4923   -0.5732    0.2737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7087   -2.0070   -0.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0097   -0.3859   -0.6710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0992    0.1965    2.3773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9318    0.1197    4.5372 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0811   -1.3014    4.8032 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9025   -2.6217    2.9386 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6097   -2.5071    1.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5418   -1.9391    0.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1729   -3.7958   -0.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1409   -2.6056   -1.5161 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9415   -2.6080   -1.7743 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9853   -4.8714   -1.5547 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2886   -5.6036    0.3274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0626   -6.6972   -0.3185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5866   -5.4037    0.7821 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9807   -5.1371   -2.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7407   -4.5679   -3.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6943   -6.2262   -2.6869 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  2  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  6  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
M  END
$$$$

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2023-12-29, 1627👍, 0💬