COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK551967
Chemical Name: 12-hexyl-9-(hexylsulfanyl)-5H-spiro[benzo[h][1,2,4]triazolo[3,4-b]quinazoline-6,1'-cyclopentan]-7(12H)-one
Smiles: CCCCCCSc1nnc2n1c(=O)c1c(n2CCCCCC)c2ccccc2CC21CCCC2

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Molecular Weight: 492.73
Empirical Formula: C29H40N4OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 10.25
Rotatable bonds: 11
H-donors: 0
H-acceptors: 1
PSA: 76
Number of rings: 5

     

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