Molecule FYI-1006387

A

Molecule Summary:

ID: FYI-1006387
Names:
InChIKey: KIOUYDHZOFTENM-UHFFFAOYSA-N
SMILES: Cc4cc(C(=O)NC2CCc1nccn1C2)c3c(C)noc3n4

Received at FYIcenter.com on: 2023-12-13

Molecule ID: FYI-1006387 Edit

Molecule Structure InChIKey: KIOUYDHZOFTENM-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4cc(C(=O)NC2CCc1nccn1C2)c3c(C)noc3n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006387
FYIcenter.com

 23 26  0  0  0  0  0  0  0  0999 V2000
    7.6693    1.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    2.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9983    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5679    3.3790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5274    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5274    5.7158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150    6.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1026    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1026    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8902    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8902    2.2158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    4.3158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    1.5158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150    3.6158    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
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 23 10  2  0  0  0  0
 23  2  1  0  0  0  0
 23  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006387-3D
FYIcenter.com

 40 43  0     1  0  0  0  0  0999 V2000
    0.6737    1.2845    2.1381 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4040    0.5349   -1.3324 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8414   -0.5323    0.1803 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8252    0.0386    0.8821 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5109   -0.0467   -1.8741 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7508   -1.6507   -0.6156 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9391    1.8364   -1.1957 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0281    0.6423    1.4094 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4316    1.8862    0.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1770   -0.3716    1.4592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8719    1.5450   -0.8232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7563    0.3485   -0.8683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6942   -1.5352   -0.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4404    0.4185    1.2990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0956   -1.2138   -1.4467 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5750   -0.2794    0.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5468    0.4128   -0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7106   -1.6640    0.7329 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5717   -0.3181   -0.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8326    1.7408   -0.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7875   -2.2763    0.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0804    2.9615   -0.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9195   -3.7620    0.2087 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3856    2.4063   -1.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9166   -0.6489    0.1392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9388   -2.3560    0.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7777   -1.7628   -2.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9885   -2.2541    1.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2037    3.2097    0.9429 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245    3.8220   -0.7000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0132    2.8341   -0.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0416   -4.2539   -0.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8039   -4.1188   -0.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0197   -4.0607    1.2571 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2  7  1  0  0  0  0
  2 19  1  0  0  0  0
  3 10  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  4 31  1  0  0  0  0
  5 12  2  0  0  0  0
  5 15  1  0  0  0  0
  6 19  2  0  0  0  0
  6 21  1  0  0  0  0
  7 20  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
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 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 13 15  2  0  0  0  0
 13 32  1  0  0  0  0
 14 16  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  2  0  0  0  0
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 20 22  1  0  0  0  0
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 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-29, 2213👍, 0💬