COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL539689
Chemical Name: (1S,5R)-3-[(5-hydroxy-1-methyl-4-oxo-6-{[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]methyl}-1,4-dihydropyridin-2-yl)methyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a]
Smiles: O=c1cc(CN2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)ccc2)n(c(c1O)CN1CCn2c(C1)nnc2C(F)(F)F)C

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Molecular Weight: 531.54
Empirical Formula: C25H28F3N7O3

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 1.127
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 98
Number of rings: 6

     

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