Molecule FYI-1015868

A

Molecule Summary:

ID: FYI-1015868
Names:
InChIKey: RWOKSMOHNDRBAY-UHFFFAOYSA-N
SMILES: Cc1cc(C(=O)O)cc(C)c1c3nc(C)c(c2c(C)cc(C(=O)O)cc2C)nc3C

Received at FYIcenter.com on: 2025-10-24

Molecule ID: FYI-1015868 Edit

Molecule Structure InChIKey: RWOKSMOHNDRBAY-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1cc(C(=O)O)cc(C)c1c3nc(C)c(c2c(C)cc(C(=O)O)cc2C)nc3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1015868
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.4055    1.6676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1202    1.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0788    0.0470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3227    0.6907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6274    0.9965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0148    2.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0977    3.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7930    2.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3474    2.6824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7397    4.0184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1021    4.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1223    3.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3428    5.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0366    0.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6246    4.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5191    1.8844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6107    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8651    6.0912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 12 25  1  0  0  0  0
 14 26  1  0  0  0  0
  8 27  1  0  0  0  0
 23 28  1  0  0  0  0
  6 29  1  0  0  0  0
 21 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015868-3D
FYIcenter.com

 54 56  0  0  0  0  0  0  0  0999 V2000
   -0.1627    1.0334   -2.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0901    0.3040   -1.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0246   -1.1102   -1.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0326   -1.8995   -0.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1552   -3.3779   -0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7433   -4.0218    0.6846 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5177   -3.9557   -1.1897 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0559   -1.2773    1.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470    0.1301    1.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1613    0.5755    2.6792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0513    0.9827    0.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0290    2.4987    0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7552    3.0505   -0.8208 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8308    4.4121   -0.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3358    7.0890   -2.6834 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0511    9.0046   -1.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1332    9.6481    0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1468   11.1408    0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 11  2  0  0  0  0
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  3 34  1  0  0  0  0
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  5  7  1  0  0  0  0
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 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
M  END
$$$$

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2025-10-24, 629👍, 0💬