COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK525900
Chemical Name: 1-(4-bromobenzyl)-8-[(3-hydroxypropyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCCNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccc(cc1)Br

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Molecular Weight: 422.28
Empirical Formula: C17H20BrN5O3

Physical State: Dry powder
Available Amount: 256 mg

Lipinsky:
logP: 2.267
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 90
Number of rings: 3

     

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