Molecule FYI-1005762

A

Molecule Summary:

ID: FYI-1005762
Names:
InChIKey: WMRCKLOBBWYGCQ-OTQYULQBSA-N
SMILES: CCN(CC)C(=O)[C@H]3C=C1c5cccc4NCC(CC1N(c2ccccc2)C3)c45

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

Molecule ID: FYI-1005762 Edit

Molecule Structure InChIKey: WMRCKLOBBWYGCQ-OTQYULQBSA-N

Molecule Structure SMILES String: CCN(CC)C(=O)[C@H]3C=C1c5cccc4NCC(CC1N(c2ccccc2)C3)c45

Download SDF Download SVG Structure in 2D SDF:

FYI-1005762
FYIcenter.com

 29 33  0  0  1  0  0  0  0  0999 V2000
    3.6303    9.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    8.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4202    8.4476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4202    7.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100    6.3517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8403    7.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0503    6.3517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0503    4.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2605    4.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2605    2.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6806    8.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4706    9.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2605    8.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100    9.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
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  7  6  1  0  0  0  0
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  9  8  1  0  0  0  0
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 13 12  2  0  0  0  0
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 22  8  1  0  0  0  0
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 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
 28  3  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005762-3D
FYIcenter.com

 58 62  0  0  1  0  0  0  0  0999 V2000
    2.2384   -0.8744    0.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6356   -1.3273   -0.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1023   -0.7614   -1.3576 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8185   -1.4612   -2.6183 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7033   -2.9771   -2.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4982    0.5838   -1.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5028    1.2006   -0.2377 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9358    1.2834   -2.6106 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4333    2.7012   -2.5699 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2168    3.7638   -2.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6493    5.1299   -2.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3553    5.5294   -2.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8562    6.7805   -2.9174 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6007    7.5946   -3.7808 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8699    7.1749   -4.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7905    6.5813   -5.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5300    4.8105   -3.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6477    3.5530   -3.3716 C   0  0  3  0  0  0  0  0  0  0  0  0
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    8.6153    2.1129   -2.8410 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3544    1.6015   -1.7619 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.4070    1.7281   -3.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
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 28 58  1  0  0  0  0
M  END
$$$$

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2023-11-18, 2653👍, 0💬