COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK001087
Chemical Name: 2-(1,3-benzothiazol-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(s1)cccc2

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Molecular Weight: 472.7
Empirical Formula: C21H16N2OS5

Physical State: Dry powder
Available Amount: 872 mg

Lipinsky:
logP: 7.52
Rotatable bonds: 3
H-donors: 0
H-acceptors: 1
PSA: 169
Number of rings: 5

     

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