COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK789115
Chemical Name: 1-(7-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-methylpropan-1-one
Smiles: CCOc1ccc2c(c1)N(C(=O)C(C)C)C(c1c2c(=S)ss1)(C)C

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Molecular Weight: 379.57
Empirical Formula: C18H21NO2S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.814
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 112
Number of rings: 3

     

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