COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK022366
Chemical Name: (2E)-3-(3,4-dimethoxyphenyl)-1-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)prop-2-en-1-one
Smiles: COc1cc(/C=C/C(=O)N2c3ccccc3c3c(C2(C)C)ssc3=S)ccc1OC

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Molecular Weight: 455.62
Empirical Formula: C23H21NO3S3

Physical State: Dry powder
Available Amount: 559 mg

Lipinsky:
logP: 6.251
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 121
Number of rings: 4

     

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