COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK072605
Chemical Name: 1-(4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]ethanone
Smiles: Oc1nc(SCC(=O)N2c3ccccc3c3c(C2(C)C)ssc3=S)nc(c1)CSc1ccc(cc1)C

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Molecular Weight: 569.82
Empirical Formula: C26H23N3O2S5

Physical State: Dry powder
Available Amount: 449 mg

Lipinsky:
logP: 6.678
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 199
Number of rings: 5

     

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