COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK228697
Chemical Name: 7-(4-chlorobenzyl)-1,3-dimethyl-8-[3-(trifluoromethyl)phenoxy]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(Oc2cccc(c2)C(F)(F)F)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 464.83
Empirical Formula: C21H16ClF3N4O3

Physical State: Dry powder
Available Amount: 199 mg

Lipinsky:
logP: 6.023
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 67
Number of rings: 4

     

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