COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL098214
Chemical Name: 8-[(2,4-dimethylphenyl)sulfanyl]-2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Smiles: Cc1ccc(c(c1)C)Sc1nccn2c1nn(c2=O)CC(=O)N1CCN(CC1)c1ccccc1F

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Molecular Weight: 492.58
Empirical Formula: C25H25FN6O2S

Physical State: Dry powder
Available Amount: 114 mg

Lipinsky:
logP: 3.031
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 97
Number of rings: 5

     

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