COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK789324
Chemical Name: (4,4-dimethyl-8-nitro-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)(3-ethoxyphenyl)methanone
Smiles: CCOc1cccc(c1)C(=O)N1c2ccc(cc2c2c(C1(C)C)ssc2=S)[N+](=O)[O-]

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Molecular Weight: 458.58
Empirical Formula: C21H18N2O4S3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.355
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 158
Number of rings: 4

     

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