COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK789559
Chemical Name: ethyl(2Z)-2-(1-acetyl-7-ethoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate
Smiles: CCOc1ccc2c(c1)N(C(=O)C)C(C(=S)/C/2=C/1\SC(=C(S1)c1ccccc1)C(=O)OCC)(C)C

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Molecular Weight: 525.71
Empirical Formula: C27H27NO4S3

Physical State: Dry powder
Available Amount: 302 mg

Lipinsky:
logP: 7.45
Rotatable bonds: 5
H-donors: 0
H-acceptors: 4
PSA: 138
Number of rings: 4

     

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