COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL314303
Chemical Name: 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(methylsulfanyl)-1-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]butan-1-one
Smiles: CSCCC(C(=O)N1CCn2c(C1)nnc2C(F)(F)F)Nc1nc(C)cc(n1)C

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Molecular Weight: 429.47
Empirical Formula: C17H22F3N7OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.223
Rotatable bonds: 5
H-donors: 1
H-acceptors: 1
PSA: 114
Number of rings: 3

     

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