COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK032251
Chemical Name: 8-[(2-methoxyethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: COCCNc1nc2c(n1Cc1cccc(c1)C(F)(F)F)c(=O)n(c(=O)n2C)C

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Molecular Weight: 411.38
Empirical Formula: C18H20F3N5O3

Physical State: Dry powder
Available Amount: 258 mg

Lipinsky:
logP: 2.487
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 79
Number of rings: 3

     

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