COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045728
Chemical Name: 6-ethyl-6-methyl-4-(4-methylphenyl)-1-thioxo-2,4,6,7-tetrahydrobenzo[h][1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n(c1ccc(cc1)C)c1n2c(=S)[nH]n1

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Molecular Weight: 402.52
Empirical Formula: C23H22N4OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.349
Rotatable bonds: 1
H-donors: 1
H-acceptors: 1
PSA: 80
Number of rings: 5

     

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