COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL297862
Chemical Name: 1-(4-bromobenzyl)-8-(4-chloro-3,5-dimethylphenoxy)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Brc1ccc(cc1)Cn1c(=O)c2n(C)c(nc2n(c1=O)C)Oc1cc(C)c(c(c1)C)Cl

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Molecular Weight: 503.78
Empirical Formula: C22H20BrClN4O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.812
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 67
Number of rings: 4

     

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