COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK789622
Chemical Name: 3-{[2-(8-methoxy-4,4-dimethyl-1-thioxo-1,4-dihydro-5H-[1,2]dithiolo[3,4-c]quinolin-5-yl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-1,6-dihydro-1,2,4-triazin-5(4H)-one
Smiles: COc1ccc2c(c1)c1c(=S)ssc1C(N2C(=O)CSC1=NNC(C(=O)N1)(C)C)(C)C

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Molecular Weight: 494.68
Empirical Formula: C20H22N4O3S4

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 5.068
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 191
Number of rings: 4

     

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