COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL341964
Chemical Name: 3,3-dimethyl-1-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one
Smiles: C=CCn1c(SCC(=O)C(C)(C)C)nnc1c1ccccn1

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Molecular Weight: 316.43
Empirical Formula: C16H20N4OS

Physical State: Dry powder
Available Amount: 88 mg

Lipinsky:
logP: 3.606
Rotatable bonds: 6
H-donors: 0
H-acceptors: 1
PSA: 85
Number of rings: 2

     

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