COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL491626
Chemical Name: 4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)-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)n1cccc1

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Molecular Weight: 373.4
Empirical Formula: C15H18F3N5OS

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.96
Rotatable bonds: 4
H-donors: 0
H-acceptors: 1
PSA: 81
Number of rings: 3

     

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