COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK526638
Chemical Name: 4-butyl-1-[(2-oxo-2-phenylethyl)sulfanyl]-7,8,9,10-tetrahydro-6H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Smiles: CCCCn1c2nnc(n2c2c(c1=O)c1CCCCCc1s2)SCC(=O)c1ccccc1

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Molecular Weight: 466.63
Empirical Formula: C24H26N4O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 7.349
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 121
Number of rings: 5

     

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