COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561339
Chemical Name: 3-{[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]carbonyl}-1H-isothiochromen-1-one
Smiles: O=C(c1cc2ccccc2c(=O)s1)N1CCn2c(C1)nnc2C(F)(F)F

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Molecular Weight: 380.35
Empirical Formula: C16H11F3N4O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.604
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 93
Number of rings: 4

     

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