COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK508701
Chemical Name: 1-[(4Z)-4-(4-acetyl-5-phenyl-1,3-dithiol-2-ylidene)-6-ethoxy-2,2-dimethyl-3-thioxo-3,4-dihydroquinolin-1(2H)-yl]-2-methylbutan-1-one
Smiles: CCOc1ccc2c(c1)/C(=C/1\SC(=C(S1)C(=O)C)c1ccccc1)/C(=S)C(N2C(=O)C(CC)C)(C)C

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Molecular Weight: 537.77
Empirical Formula: C29H31NO3S3

Physical State: Dry powder
Available Amount: 424 mg

Lipinsky:
logP: 7.505
Rotatable bonds: 5
H-donors: 0
H-acceptors: 3
PSA: 129
Number of rings: 4

     

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