COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK871016
Chemical Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone
Smiles: S=c1ssc2c1c1ccccc1N(C2(C)C)C(=O)CSc1nc2c(o1)cccc2

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Molecular Weight: 456.63
Empirical Formula: C21H16N2O2S4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.275
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 154
Number of rings: 5

     

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