COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK697876
Chemical Name: 8-[(2-chlorobenzyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccccc1CNc1nc2c(n1Cc1cccc(c1)C(F)(F)F)c(=O)n(c(=O)n2C)C

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Molecular Weight: 477.87
Empirical Formula: C22H19ClF3N5O2

Physical State: Dry powder
Available Amount: 9 mg

Lipinsky:
logP: 4.849
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 70
Number of rings: 4

     

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