COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK697852
Chemical Name: 7-(4-bromobenzyl)-8-[(4-chlorobenzyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)CNc1nc2c(n1Cc1ccc(cc1)Br)c(=O)n(c(=O)n2C)C

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Molecular Weight: 488.77
Empirical Formula: C21H19BrClN5O2

Physical State: Dry powder
Available Amount: 295 mg

Lipinsky:
logP: 5.049
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 70
Number of rings: 4

     

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