COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK065794
Chemical Name: 1,3-dimethyl-7-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)Cn1cnc2c1c(=O)n(C)c(=O)n2C

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Molecular Weight: 450.42
Empirical Formula: C20H21F3N6O3

Physical State: Dry powder
Available Amount: 247 mg

Lipinsky:
logP: 2.042
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 81
Number of rings: 4

     

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