COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK554290
Chemical Name: 12-butyl-9-(butylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(12H)-one
Smiles: CCCCn1c2c3ccccc3CC3(c2c(=O)n2c1nnc2SCCCC)CCCCC3

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Molecular Weight: 450.65
Empirical Formula: C26H34N4OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.689
Rotatable bonds: 7
H-donors: 0
H-acceptors: 1
PSA: 76
Number of rings: 5

     

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