COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK743841
Chemical Name: 1,3-dimethyl-8-[(1H-tetrazol-5-ylmethyl)sulfanyl]-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(Cc1cccc(c1)C(F)(F)F)c(n2)SCc1nnn[nH]1

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Molecular Weight: 452.42
Empirical Formula: C17H15F3N8O2S

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 2.703
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 138
Number of rings: 4

     

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