COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL326521
Chemical Name: 1-(4,4-dimethyl-8-nitro-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)hexan-1-one
Smiles: CCCCCC(=O)N1c2ccc(cc2c2c(C1(C)C)ssc2=S)[N+](=O)[O-]

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Molecular Weight: 408.57
Empirical Formula: C18H20N2O3S3

Physical State: Dry powder
Available Amount: 190 mg

Lipinsky:
logP: 7.051
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 148
Number of rings: 3

     

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