COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK508644
Chemical Name: methyl(2Z)-2-(1-acetyl-6-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Smiles: COc1ccc2c(c1)/C(=C/1\SC(=C(S1)C(=O)OC)c1ccccc1)/C(=S)C(N2C(=O)C)(C)C

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Molecular Weight: 497.66
Empirical Formula: C25H23NO4S3

Physical State: Dry powder
Available Amount: 333 mg

Lipinsky:
logP: 6.318
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 138
Number of rings: 4

     

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