COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK050543
Chemical Name: 1,3-dimethyl-8-[(pyridin-3-ylmethyl)amino]-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c(=O)c2c1nc(n2Cc1cccc(c1)C(F)(F)F)NCc1cccnc1

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Molecular Weight: 444.42
Empirical Formula: C21H19F3N6O2

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 2.762
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 83
Number of rings: 4

     

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