COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK059618
Chemical Name: (2E)-1-(8-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)but-2-en-1-one
Smiles: C/C=C/C(=O)N1c2ccc(cc2c2c(C1(C)C)ssc2=S)OC

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Molecular Weight: 363.53
Empirical Formula: C17H17NO2S3

Physical State: Dry powder
Available Amount: 596 mg

Lipinsky:
logP: 4.789
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 112
Number of rings: 3

     

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