COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK028775
Chemical Name: 1-(8-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)hexan-1-one
Smiles: CCCCCC(=O)N1c2ccc(cc2c2c(C1(C)C)ssc2=S)OC

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Molecular Weight: 393.6
Empirical Formula: C19H23NO2S3

Physical State: Dry powder
Available Amount: 183 mg

Lipinsky:
logP: 6.46
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 112
Number of rings: 3

     

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