COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL340611
Chemical Name: 8-[benzyl(methyl)amino]-1-(3-bromobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Brc1cccc(c1)Cn1c(=O)n(C)c2c(c1=O)n(C)c(n2)N(Cc1ccccc1)C

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Molecular Weight: 468.35
Empirical Formula: C22H22BrN5O2

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 4.417
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 61
Number of rings: 4

     

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