COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL053814
Chemical Name: 7-(3-bromobenzyl)-6-hydroxy-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OCCN1CCN(CC1)c1nc2c(n1Cc1cccc(c1)Br)c(O)nc(=O)n2C

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Molecular Weight: 463.33
Empirical Formula: C19H23BrN6O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.968
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 97
Number of rings: 4

     

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