COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK870834
Chemical Name: 1-(7-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)butan-1-one
Smiles: CCCC(=O)N1c2cc(OCC)ccc2c2c(C1(C)C)ssc2=S

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Molecular Weight: 379.57
Empirical Formula: C18H21NO2S3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.998
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 112
Number of rings: 3

     

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