COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK697877
Chemical Name: 8-[(1,3-benzodioxol-5-ylmethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1n(C)c2nc(n(c2c(=O)n1C)Cc1cccc(c1)C(F)(F)F)NCc1ccc2c(c1)OCO2

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Molecular Weight: 487.44
Empirical Formula: C23H20F3N5O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.116
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 88
Number of rings: 5

     

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