COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL006486
Chemical Name: 7-(3-bromobenzyl)-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCN1CCN(CC1)c1nc2c(n1Cc1cccc(c1)Br)c(=O)[nH]c(=O)n2C

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Molecular Weight: 463.33
Empirical Formula: C19H23BrN6O3

Physical State: Dry powder
Available Amount: 10 mg

Lipinsky:
logP: 1.318
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 93
Number of rings: 4

     

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