Molecule FYI-1004253

A

Molecule Summary:

ID: FYI-1004253
Names:
InChIKey: OYBOIAASGACMNP-UHFFFAOYSA-N
SMILES: CC(C)(C)NC(=O)CN(C(=O)Cc1ccc(C(=O)NO)cc1F)c2ccccc2Cl

Received at FYIcenter.com on: 2023-08-23

Molecule ID: FYI-1004253 Edit

Molecule Structure InChIKey: OYBOIAASGACMNP-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)NC(=O)CN(C(=O)Cc1ccc(C(=O)NO)cc1F)c2ccccc2Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1004253
FYIcenter.com

 30 31  0  0  0  0  0  0  0  0999 V2000
    3.6374    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    2.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26  2  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
 30 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004253-3D
FYIcenter.com

 53 54  0  0  0  0  0  0  0  0999 V2000
    2.0683   -3.7913    3.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2688   -4.7895    2.7405 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0474   -6.0275    3.2303 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660   -5.2804    2.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9729   -4.1471    1.6019 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2359   -3.5847    1.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8253   -3.5312    2.8099 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8838   -2.9990    0.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3642   -3.1126    0.4494 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7233   -0.8211    0.4154 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7033   -2.2290    0.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6898   -1.2138   -0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4211   -0.3219   -1.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4333    0.5184   -1.5526 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7252    0.4747   -1.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.6354    2.7736   -1.0997 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0193   -0.4508   -0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.2079    1.2105   -2.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
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 28 53  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
$$$$

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2023-09-16, 2627👍, 0💬