COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL327195
Chemical Name: 3-methyl-1-(4,4,7-trimethyl-8-nitro-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)butan-1-one
Smiles: CC(CC(=O)N1c2cc(C)c(cc2c2c(C1(C)C)ssc2=S)[N+](=O)[O-])C

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Molecular Weight: 408.57
Empirical Formula: C18H20N2O3S3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.796
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 148
Number of rings: 3

     

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