COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK052119
Chemical Name: 1-{(2Z)-2-[6-ethoxy-2,2-dimethyl-1-(phenylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-5-phenyl-1,3-dithiol-4-yl}ethanone
Smiles: CCOc1ccc2c(c1)/C(=C/1\SC(=C(S1)C(=O)C)c1ccccc1)/C(=S)C(N2C(=O)c1ccccc1)(C)C

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Molecular Weight: 557.76
Empirical Formula: C31H27NO3S3

Physical State: Dry powder
Available Amount: 450 mg

Lipinsky:
logP: 6.938
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 129
Number of rings: 5

     

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