COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK035752
Chemical Name: 1,3-benzodioxol-5-yl(8-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone
Smiles: COc1ccc2c(c1)c1c(=S)ssc1C(N2C(=O)c1ccc2c(c1)OCO2)(C)C

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Molecular Weight: 443.57
Empirical Formula: C21H17NO4S3

Physical State: Dry powder
Available Amount: 451 mg

Lipinsky:
logP: 4.589
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 130
Number of rings: 5

     

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