COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL154783
Chemical Name: 3-(2-chloro-6-fluorophenyl)-8-hydroxy-5-methyl-9-(3-methylbutyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purin-6-one
Smiles: CC(CCn1c2c(O)nc(=O)n(c2n2c1nnc2c1c(F)cccc1Cl)C)C

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Molecular Weight: 404.83
Empirical Formula: C18H18ClFN6O2

Physical State: Dry powder
Available Amount: 237 mg

Lipinsky:
logP: 1.647
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 88
Number of rings: 4

     

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