COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK009484
Chemical Name: 1,3-benzodioxol-5-yl(4,4,7,8-tetramethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)methanone
Smiles: O=C(N1c2cc(C)c(cc2c2c(C1(C)C)ssc2=S)C)c1ccc2c(c1)OCO2

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Molecular Weight: 441.6
Empirical Formula: C22H19NO3S3

Physical State: Dry powder
Available Amount: 117 mg

Lipinsky:
logP: 5.634
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 121
Number of rings: 5

     

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