COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK557123
Chemical Name: 6-ethyl-6-methyl-12-(3-methylbutyl)-9-[(3-methylbutyl)sulfanyl]-6,12-dihydrobenzo[h][1,2,4]triazolo[3,4-b]quinazolin-7(5H)-one
Smiles: CCC1(C)Cc2ccccc2c2c1c(=O)n1c(n2CCC(C)C)nnc1SCCC(C)C

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Molecular Weight: 452.66
Empirical Formula: C26H36N4OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.871
Rotatable bonds: 8
H-donors: 0
H-acceptors: 1
PSA: 76
Number of rings: 4

     

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