COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK554954
Chemical Name: 12-pentyl-9-(pentylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclohexan]-7(12H)-one
Smiles: CCCCCSc1nnc2n1c(=O)c1c(n2CCCCC)c2ccccc2CC21CCCCC2

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Molecular Weight: 478.7
Empirical Formula: C28H38N4OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 9.752
Rotatable bonds: 9
H-donors: 0
H-acceptors: 1
PSA: 76
Number of rings: 5

     

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