COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK789384
Chemical Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(7-ethoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)ethanone
Smiles: CCOc1ccc2c(c1)N(C(=O)CSc1nc3c(s1)cccc3)C(c1c2c(=S)ss1)(C)C

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Molecular Weight: 516.75
Empirical Formula: C23H20N2O2S5

Physical State: Dry powder
Available Amount: 333 mg

Lipinsky:
logP: 7.997
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 178
Number of rings: 5

     

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