COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK065602
Chemical Name: methyl(2Z)-2-[7-ethoxy-2,2-dimethyl-1-(phenylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate
Smiles: CCOc1ccc2c(c1)N(C(=O)c1ccccc1)C(C(=S)/C/2=C\1/SC(=C(S1)C(=O)OC)c1ccccc1)(C)C

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Molecular Weight: 573.76
Empirical Formula: C31H27NO4S3

Physical State: Dry powder
Available Amount: 449 mg

Lipinsky:
logP: 7.762
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 138
Number of rings: 5

     

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