COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK993198
Chemical Name: (4E)-5-(3,4-dimethoxyphenyl)-2-(1,3-dithiolan-2-ylidene)-3-oxopent-4-enoicacid
Smiles: COc1cc(/C=C/C(=O)C(=C2SCCS2)C(=O)O)ccc1OC

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Molecular Weight: 352.43
Empirical Formula: C16H16O5S2

Physical State: Dry powder
Available Amount: 69 mg

Lipinsky:
logP: 3.125
Rotatable bonds: 7
H-donors: 1
H-acceptors: 5
PSA: 123
Number of rings: 2

     

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