COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL381173
Chemical Name: 8-(2-chloro-4-fluorophenoxy)-1,3-dimethyl-7-(4-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1ccc(cc1)Cn1c(Oc2ccc(cc2Cl)F)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 428.85
Empirical Formula: C21H18ClFN4O3

Physical State: Dry powder
Available Amount: 20 mg

Lipinsky:
logP: 5.153
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 67
Number of rings: 4

     

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