Molecule FYI-1009131

A

Molecule Summary:

ID: FYI-1009131
Names:
InChIKey: YHINBAILLDLPFQ-UHFFFAOYSA-O
SMILES: Cc4ccc3[nH]c1ccccc1c(N2CCN([NH3+])CC2)nc3c4

Received at FYIcenter.com on: 2024-05-01

Molecule ID: FYI-1009131 Edit

Molecule Structure InChIKey: YHINBAILLDLPFQ-UHFFFAOYSA-O

Molecule Structure SMILES String: Cc4ccc3[nH]c1ccccc1c(N2CCN([NH3+])CC2)nc3c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1009131
FYIcenter.com

 23 26  0  0  0  0  0  0  0  0999 V2000
    7.3567   10.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1443    9.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9319   10.4236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7194    9.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7194    8.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9319    7.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1443    8.3236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1405    6.2392    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1883    5.2129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6998    3.9097    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8269    2.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3384    1.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7227    1.3032    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0036    6.4743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4162    7.8121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  6  5  1  0  0  0  0
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 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 23  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009131-3D
FYIcenter.com

 45 48  0  0  0  0  0  0  0  0999 V2000
    0.9700    0.0380   -0.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4694    0.0221   -0.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1652   -1.1813   -0.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5575   -1.1827   -0.2707 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2828    0.0173   -0.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6979   -0.0558   -0.0993 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3082    0.4406    1.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0326   -0.4415    1.8878 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5325   -0.0263    3.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3294    1.2787    3.5546 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6093    2.1673    2.7555 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0862    1.7448    1.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3176    2.7425    0.7087 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7728    4.0631    0.7423 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1318    4.3846    0.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6133    5.6813    0.9717 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6584    6.8191    0.8894 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6208    7.3925   -0.4152 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.3076    6.3814    1.3267 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7943    5.1387    0.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2211    2.4993    0.0384 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5975    1.2387   -0.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1942    1.2212   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  2  0  0  0  0
  3  4  2  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  2  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
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 15 16  1  0  0  0  0
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 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 38  1  0  0  0  0
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 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 45  1  0  0  0  0
M  END
$$$$

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2024-05-05, 176👍, 0💬