Molecule FYI-1003084

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A

Molecule Summary:

ID: FYI-1003084
Names:
InChIKey: XFYYGNKZPBYPLH-UHFFFAOYSA-N
SMILES: N#Cc3cc(Nc2cnc1NC(=O)CNc1c2)ccc3O

Received at FYIcenter.com on: 2023-05-10

Molecule ID: FYI-1003084 Edit

Molecule Structure InChIKey: XFYYGNKZPBYPLH-UHFFFAOYSA-N

Molecule Structure SMILES String: N#Cc3cc(Nc2cnc1NC(=O)CNc1c2)ccc3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003084
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    8.4871    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    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  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  3  0  0  0  0
 14 11  2  0  0  0  0
 14  6  1  0  0  0  0
 15  4  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17  2  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 21  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003084-3D
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
    8.5867   -0.6599   -5.0501 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7571    0.0249   -4.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7727    0.8802   -4.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0153    1.4448   -2.7935 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0754    2.2859   -2.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3608    2.8110   -0.8997 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7283    3.9324   -0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2772    3.9009    0.9991 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4539    4.8234    1.5357 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1504    5.8762    0.7546 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0881    6.6964    1.1801 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1461    8.0221    0.8156 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6847    8.9034    1.5400 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7502    8.3480   -0.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575    7.1893   -1.3148 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6904    6.1157   -0.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4775    5.1003   -1.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8588    2.5120   -2.8462 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6007    1.9535   -4.0993 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5597    1.1349   -4.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3097    0.5747   -5.9130 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9609    1.2469   -2.2827 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4233    2.0360   -0.2382 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5193    3.0758    1.6631 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2833    6.3094    0.6934 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5613    9.0672   -0.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9632    8.8236   -1.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9531    7.4560   -2.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8480    5.1841   -2.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0831    3.1214   -2.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6526    2.1616   -4.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    0.7854   -6.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  2  0  0  0  0
  4  5  2  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  2  0  0  0  0
  8  9  2  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 17 29  1  0  0  0  0
 18 19  2  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 21 32  1  0  0  0  0
M  END
$$$$

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2023-06-19, 856👍, 0💬