COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK937792
Chemical Name: 1-(2-chloro-6-fluorobenzyl)-8-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methyl-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1cc(n(n1)c1nc2c(n1C(C)C)c(=O)n(c(=O)n2C)Cc1c(F)cccc1Cl)C

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Molecular Weight: 444.9
Empirical Formula: C21H22ClFN6O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.062
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 76
Number of rings: 4

     

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