COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL244507
Chemical Name: 3-hydroxy-6-(hydroxymethyl)-2-({4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
Smiles: OCc1oc(CN2CCCN(CC2)c2ccc(cn2)C(F)(F)F)c(c(=O)c1)O

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Molecular Weight: 399.37
Empirical Formula: C18H20F3N3O4

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 3.16
Rotatable bonds: 5
H-donors: 2
H-acceptors: 4
PSA: 86
Number of rings: 3

     

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